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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-methylphenyl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(p-tolylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(4-methylphenyl)thio]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-methylphenyl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(p-tolylthio)propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S/c1-10-6-8-14(9-7-10)23-13(4)17(20)16-11(2)15(12(3)19-16)18(21)22-5/h6-9,13,19H,1-5H3