methyl 2,5-dimethyl-4-[2-[(4-methylphenyl)methylsulfanyl]ethanoyl]-1-propan-2-yl-pyrrole-3-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-[2-[(4-methylphenyl)methylsulfanyl]ethanoyl]-1-propan-2-yl-pyrrole-3-carboxylate Openeye Name: methyl 1-isopropyl-2,5-dimethyl-4-[2-(p-tolylmethylsulfanyl)acetyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[(4-methylphenyl)methylthio]-1-oxoethyl]-1-propan-2-yl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-[2-[(4-methylphenyl)methylsulfanyl]acetyl]-1-propan-2-ylpyrrole-3-carboxylate Traditional Name: 1-isopropyl-2,5-dimethyl-4-[2-[(4-methylbenzyl)thio]acetyl]pyrrole-3-carboxylic acid methyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)C2=C(N(C(=C2C(=O)OC)C)C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)C2=C(N(C(=C2C(=O)OC)C)C(C)C)C

InChI

InChI=1S/C21H27NO3S/c1-13(2)22-15(4)19(20(16(22)5)21(24)25-6)18(23)12-26-11-17-9-7-14(3)8-10-17/h7-10,13H,11-12H2,1-6H3