[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O4S/c1-12-17(14(3)22)13(2)21-18(12)19(24)25-11-16(23)20-9-10-26-15-7-5-4-6-8-15/h4-8,21H,9-11H2,1-3H3,(H,20,23)