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

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methoxyphenyl)-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-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(o-anisoylamino)butyric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C19H22N2O5S/c1-25-17-8-4-3-6-13(17)18(23)21-15(9-11-27-2)19(24)26-12-16(22)14-7-5-10-20-14/h3-8,10,15,20H,9,11-12H2,1-2H3,(H,21,23)