AC1O3Q61

ethyl 2-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: (E)-ethyl 2-(2-cyano-3-(5-methylthiophen-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|F1589-1149|ETHYL 2-[(2E)-2-CYANO-3-(5-METHYLTHIOPHEN-2-YL)PROP-2-ENAMIDO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|ethyl 2-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[(2E)-2-cyano-3-(5-methyl(2-thienyl))prop-2-enoylamino]-6-methyl-4,5,6 ,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-{[(2E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Molecular Formula	C21H22N2O3S2
Molecular Weight	414.10718 g/mol
LogP	4.9652
Topological Polar Surface Area	79.19 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	414.10718
Monoisotopic Mass	414.10718
Heavy Atoms	28
Complexity	978.4281

Chemical Identifiers

CAS Number	488794-53-2
SMILES	CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)/C(=C/C3=CC=C(S3)C)/C#N