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

Systemtic Name: 5-(4-chlorophenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrole-2-carboxylic acid Openeye Name: 5-(4-chlorobenzoyl)-1-methyl-4-methylsulfanyl-pyrrole-2-carboxylic acid CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-1-methyl-4-(methylthio)-2-pyrrolecarboxylic acid IUPAC Name: 5-(4-chlorobenzoyl)-1-methyl-4-methylsulfanylpyrrole-2-carboxylic acid Traditional Name: 5-(4-chlorobenzoyl)-1-methyl-4-(methylthio)pyrrole-2-carboxylic acid Formula: C14H12ClNO3S MolecularWeight: 309.76798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClNO3S/c1-16-10(14(18)19)7-11(20-2)12(16)13(17)8-3-5-9(15)6-4-8/h3-7H,1-2H3,(H,18,19)