2,3-dimethoxy-6-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]benzoic acid

Systemtic Name: 2,3-dimethoxy-6-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]benzoic acid Openeye Name: 2,3-dimethoxy-6-[(Z)-(4-oxo-2-thioxo-1H-quinazolin-3-yl)iminomethyl]benzoic acid CAS Name: 2,3-dimethoxy-6-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]benzoic acid IUPAC Name: 2,3-dimethoxy-6-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]benzoic acid Traditional Name: 6-[(Z)-(4-keto-2-thioxo-1H-quinazolin-3-yl)iminomethyl]-2,3-dimethoxy-benzoic acid Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=NN2C(=O)C3=CC=CC=C3NC2=S)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=N\N2C(=O)C3=CC=CC=C3NC2=S)C(=O)O)OC

InChI

InChI=1S/C18H15N3O5S/c1-25-13-8-7-10(14(17(23)24)15(13)26-2)9-19-21-16(22)11-5-3-4-6-12(11)20-18(21)27/h3-9H,1-2H3,(H,20,27)(H,23,24)/b19-9-