methyl 2,4-dimethyl-5-[2-(4-methylphenyl)sulfanylethylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-methylphenyl)sulfanylethylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(p-tolylsulfanyl)ethylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[2-[(4-methylphenyl)thio]ethylamino]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-methylphenyl)sulfanylethylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(p-tolylthio)ethylcarbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C18H22N2O3S/c1-11-5-7-14(8-6-11)24-10-9-19-17(21)16-12(2)15(13(3)20-16)18(22)23-4/h5-8,20H,9-10H2,1-4H3,(H,19,21)