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

Systemtic Name: 4-[(3-oxidanylidene-4H-quinoxalin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(3-oxo-4H-quinoxalin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-oxo-4H-quinoxalin-2-yl)thio]methyl]benzoate IUPAC Name: 4-[(3-oxo-4H-quinoxalin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-keto-4H-quinoxalin-2-yl)thio]methyl]benzoate Formula: C16H11N2O3S- MolecularWeight: 311.33514

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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)/p-1