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

Systemtic Name: methyl 4-oxidanylidene-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(4-benzyloxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(4-benzoxyphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H18N2O4S/c1-28-22(27)16-7-12-19-20(13-16)24-23(30)25(21(19)26)17-8-10-18(11-9-17)29-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,30)