[2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-keto-2-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)N(C)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)N(C)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C19H21N3O5S/c1-12(23)13-8-15(20-9-13)19(26)27-11-18(25)22(2)10-17(24)21-14-6-4-5-7-16(14)28-3/h4-9,20H,10-11H2,1-3H3,(H,21,24)