[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O4S/c1-12(20)13-9-15(19-10-13)17(22)23-11-16(21)18-7-8-24-14-5-3-2-4-6-14/h2-6,9-10,19H,7-8,11H2,1H3,(H,18,21)