methyl 3-(4-ethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(4-ethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(4-ethoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-p-phenetyl-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

InChI

InChI=1S/C18H16N2O4S/c1-3-24-13-7-5-12(6-8-13)20-16(21)14-9-4-11(17(22)23-2)10-15(14)19-18(20)25/h4-10H,3H2,1-2H3,(H,19,25)