2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)thio]-2-phenylacetic acid IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]-2-phenylacetic acid Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)thio]-2-phenyl-acetic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=NC(=O)C3=CC=CC=C3N2

InChI

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