[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2)C

InChI

InChI=1S/C17H20N2O4S2/c1-12(20)13-8-15(19(2)9-13)17(22)23-10-16(21)18-5-7-24-11-14-4-3-6-25-14/h3-4,6,8-9H,5,7,10-11H2,1-2H3,(H,18,21)