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

Systemtic Name: [2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 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] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-keto-2-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]ethyl] ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)COC(=O)C2=CC=CN2

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)COC(=O)C2=CC=CN2

InChI

InChI=1S/C17H19N3O4S/c1-20(16(22)11-24-17(23)13-7-5-9-18-13)10-15(21)19-12-6-3-4-8-14(12)25-2/h3-9,18H,10-11H2,1-2H3,(H,19,21)