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

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[2-(4-methylphenyl)sulfanylethylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-12(2)25-20(24)17-14(4)18(22-15(17)5)19(23)21-10-11-26-16-8-6-13(3)7-9-16/h6-9,12,22H,10-11H2,1-5H3,(H,21,23)