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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C20H22N2O4S/c1-12-6-8-13(9-7-12)21-19(26)18-14-4-2-3-5-15(14)27-20(18)22-16(23)10-11-17(24)25/h6-9H,2-5,10-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)/p-1