5-(carboxycarbonyl)-3-[(3-chlorophenyl)sulfanylmethyl]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 5-(carboxycarbonyl)-3-[(3-chlorophenyl)sulfanylmethyl]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 3-[(3-chlorophenyl)sulfanylmethyl]-1-methyl-5-oxalo-pyrrole-2-carboxylic acid CAS Name: 3-[[(3-chlorophenyl)thio]methyl]-1-methyl-5-oxalo-2-pyrrolecarboxylic acid IUPAC Name: 3-[(3-chlorophenyl)sulfanylmethyl]-1-methyl-5-oxalopyrrole-2-carboxylic acid Traditional Name: 3-[[(3-chlorophenyl)thio]methyl]-1-methyl-5-oxalo-pyrrole-2-carboxylic acid Formula: C15H12ClNO5S MolecularWeight: 353.77748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C(=O)O)CSC2=CC(=CC=C2)Cl)C(=O)C(=O)O

Isomeric SMILES

CN1C(=CC(=C1C(=O)O)CSC2=CC(=CC=C2)Cl)C(=O)C(=O)O

InChI

InChI=1S/C15H12ClNO5S/c1-17-11(13(18)15(21)22)5-8(12(17)14(19)20)7-23-10-4-2-3-9(16)6-10/h2-6H,7H2,1H3,(H,19,20)(H,21,22)