[1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrrole-2-carboxylate Openeye Name: [1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [1-[2-(methylthio)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylsulfanylanilino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)C2=CC=CN2C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)C2=CC=CN2C

InChI

InChI=1S/C16H18N2O3S/c1-11(21-16(20)13-8-6-10-18(13)2)15(19)17-12-7-4-5-9-14(12)22-3/h4-11H,1-3H3,(H,17,19)