[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC=CN1)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSCCC(C(=O)OCC(=O)C1=CC=CN1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O4S/c1-26-10-8-15(21-17(23)12-4-6-13(19)7-5-12)18(24)25-11-16(22)14-3-2-9-20-14/h2-7,9,15,20H,8,10-11H2,1H3,(H,21,23)