3-[(3-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 3-[(3-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-[(3-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[(3-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-[(3-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-m-anisyl-2-thioxo-1H-quinazoline-7-carboxylate Formula: C17H13N2O4S- MolecularWeight: 341.36112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

InChI

InChI=1S/C17H14N2O4S/c1-23-12-4-2-3-10(7-12)9-19-15(20)13-6-5-11(16(21)22)8-14(13)18-17(19)24/h2-8H,9H2,1H3,(H,18,24)(H,21,22)/p-1