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

Systemtic Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)N(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)N(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H20N2O3S/c1-18-10-4-5-15(18)17(21)22-12-16(20)19(2)11-13-6-8-14(23-3)9-7-13/h4-10H,11-12H2,1-3H3