2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylquinazoline-4-carboxylic acid

Systemtic Name: 2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylquinazoline-4-carboxylic acid Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanylquinazoline-4-carboxylic acid CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-4-quinazolinecarboxylic acid IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanylquinazoline-4-carboxylic acid Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]quinazoline-4-carboxylic acid Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C17H13N3O3S/c21-14(18-11-6-2-1-3-7-11)10-24-17-19-13-9-5-4-8-12(13)15(20-17)16(22)23/h1-9H,10H2,(H,18,21)(H,22,23)