AC1LEVU0

2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid

Also Known As: BAS 00700356|2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid|MLS-0091945.0001|2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid|(3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid|(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid|[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid|2-[(3-ethyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetic acid|(3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3- d ]pyrimidin-2-ylsulfanyl)-acetic acid|2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)aceticacid|2-(3-ethyl-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthi o)acetic acid|2-[(3-Ethyl-3,4,5,6,7,8-hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetic acid|2-[(3-ethyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoic acid|2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetic acid|2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid

Molecular Formula	C14H16N2O3S2
Molecular Weight	324.06024 g/mol
LogP	3.0
Topological Polar Surface Area	124.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	324.06024
Monoisotopic Mass	324.06024
Heavy Atoms	21
Complexity	483.0

Chemical Identifiers

CAS Number	59898-75-8
SMILES	CCN1C(=O)C2=C(N=C1SCC(=O)O)SC3=C2CCCC3
InChIKey	RZCGXZIBYWXSJZ-UHFFFAOYSA-N