2-[2-[(4-carboxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(4-carboxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(4-carboxyanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(4-carboxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-carboxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(4-carboxyanilino)-2-keto-ethyl]thio]nicotinic acid Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H12N2O5S/c18-12(17-10-5-3-9(4-6-10)14(19)20)8-23-13-11(15(21)22)2-1-7-16-13/h1-7H,8H2,(H,17,18)(H,19,20)(H,21,22)