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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(4-methylphenyl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=CC=C(C=C2)C)C

InChI

InChI=1S/C18H21NO3S/c1-5-22-18(21)16-12(3)17(19-13(16)4)15(20)10-23-14-8-6-11(2)7-9-14/h6-9,19H,5,10H2,1-4H3