6-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 6-[2-(3-chloroanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 6-[[2-(3-chloroanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[[2-(3-chloroanilino)-2-keto-ethyl]thio]nicotinic acid Formula: C14H11ClN2O3S MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H11ClN2O3S/c15-10-2-1-3-11(6-10)17-12(18)8-21-13-5-4-9(7-16-13)14(19)20/h1-7H,8H2,(H,17,18)(H,19,20)