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

Systemtic Name: methyl 3-(4-ethoxycarbonylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(4-ethoxycarbonylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(4-ethoxycarbonylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-ethoxycarbonylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(4-carbethoxyphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5S/c1-3-26-18(24)11-4-7-13(8-5-11)21-16(22)14-9-6-12(17(23)25-2)10-15(14)20-19(21)27/h4-10H,3H2,1-2H3,(H,20,27)