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

Systemtic Name: methyl 3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-thioxo-3-veratryl-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)OC

InChI

InChI=1S/C19H18N2O5S/c1-24-15-7-4-11(8-16(15)25-2)10-21-17(22)13-6-5-12(18(23)26-3)9-14(13)20-19(21)27/h4-9H,10H2,1-3H3,(H,20,27)