3-[(3-chlorophenyl)sulfanylmethyl]-5-(2-ethoxy-2-oxidanylidene-ethanoyl)-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 3-[(3-chlorophenyl)sulfanylmethyl]-5-(2-ethoxy-2-oxidanylidene-ethanoyl)-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 3-[(3-chlorophenyl)sulfanylmethyl]-5-(2-ethoxy-2-oxo-acetyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 3-[[(3-chlorophenyl)thio]methyl]-5-(2-ethoxy-1,2-dioxoethyl)-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 3-[(3-chlorophenyl)sulfanylmethyl]-5-(2-ethoxy-2-oxoacetyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 3-[[(3-chlorophenyl)thio]methyl]-5-ethoxalyl-1-methyl-pyrrole-2-carboxylic acid Formula: C17H16ClNO5S MolecularWeight: 381.83064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C1=CC(=C(N1C)C(=O)O)CSC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C(=O)C1=CC(=C(N1C)C(=O)O)CSC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H16ClNO5S/c1-3-24-17(23)15(20)13-7-10(14(16(21)22)19(13)2)9-25-12-6-4-5-11(18)8-12/h4-8H,3,9H2,1-2H3,(H,21,22)