4-oxidanylidene-4-[[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoate Openeye Name: 4-[[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[3-[oxo-[(phenylmethyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoate IUPAC Name: 4-[[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C20H21N2O4S- MolecularWeight: 385.45674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)[O-])C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)[O-])C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c23-16(10-11-17(24)25)22-20-18(14-8-4-5-9-15(14)27-20)19(26)21-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,21,26)(H,22,23)(H,24,25)/p-1