2-[2-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenoxy]ethanoate

Systemtic Name: 2-[2-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenoxy]ethanoate Openeye Name: 2-[2-[(Z)-(4-oxo-2-thioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetate CAS Name: 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetate IUPAC Name: 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetate Traditional Name: 2-[2-[(Z)-(4-keto-2-thioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetate Formula: C17H12N3O4S- MolecularWeight: 354.35988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=S)OCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=N\N2C(=O)C3=CC=CC=C3NC2=S)OCC(=O)[O-]

InChI

InChI=1S/C17H13N3O4S/c21-15(22)10-24-14-8-4-1-5-11(14)9-18-20-16(23)12-6-2-3-7-13(12)19-17(20)25/h1-9H,10H2,(H,19,25)(H,21,22)/p-1/b18-9-