methyl 5-(4-chlorophenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrole-2-carboxylate

Systemtic Name: methyl 5-(4-chlorophenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrole-2-carboxylate Openeye Name: methyl 5-(4-chlorobenzoyl)-1-methyl-4-methylsulfanyl-pyrrole-2-carboxylate CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-1-methyl-4-(methylthio)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorobenzoyl)-1-methyl-4-methylsulfanylpyrrole-2-carboxylate Traditional Name: 5-(4-chlorobenzoyl)-1-methyl-4-(methylthio)pyrrole-2-carboxylic acid methyl ester Formula: C15H14ClNO3S MolecularWeight: 323.79456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)SC)C(=O)OC

Isomeric SMILES

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)SC)C(=O)OC

InChI

InChI=1S/C15H14ClNO3S/c1-17-11(15(19)20-2)8-12(21-3)13(17)14(18)9-4-6-10(16)7-5-9/h4-8H,1-3H3