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

Systemtic Name: [2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic 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-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-keto-2-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-13(24)14-9-16(22(2)10-14)20(27)28-12-19(26)23(3)11-18(25)21-15-7-5-6-8-17(15)29-4/h5-10H,11-12H2,1-4H3,(H,21,25)