AC1LIGGR

(E)-4-oxo-4-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]but-2-enoic acid

Also Known As: AK-968/12971322|benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-(1-methylethyl) ester|(2E)-4-[[3-(ISOPROPOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL]AMINO]-4-OXOBUT-2-ENOIC ACID|(2E)-4-oxo-4-({3-[(propan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)but-2-enoic acid|(E)-4-oxo-4-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]but-2-enoic acid|4-{[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxo-2-butenoic acid

Molecular Formula	C16H19NO5S
Molecular Weight	337.0984 g/mol
LogP	2.7714
Topological Polar Surface Area	92.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	337.0984
Monoisotopic Mass	337.0984
Heavy Atoms	23
Complexity	659.67303

Chemical Identifiers

CAS Number	355000-59-8
SMILES	CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C(=O)O