4-[(3-oxidanylidene-4H-quinoxalin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(3-oxidanylidene-4H-quinoxalin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(3-oxo-4H-quinoxalin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(3-oxo-4H-quinoxalin-2-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(3-oxo-4H-quinoxalin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(3-keto-4H-quinoxalin-2-yl)thio]methyl]benzoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(=N2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(=N2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12N2O3S/c19-14-15(18-13-4-2-1-3-12(13)17-14)22-9-10-5-7-11(8-6-10)16(20)21/h1-8H,9H2,(H,17,19)(H,20,21)