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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-methylphenyl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(p-tolylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(4-methylphenyl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-methylphenyl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(p-tolylthio)acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3S/c1-10-5-7-13(8-6-10)22-9-14(19)16-11(2)15(12(3)18-16)17(20)21-4/h5-8,18H,9H2,1-4H3