methyl 4-[[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(2,5-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(2,5-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(2,5-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H22N2O5S/c1-30-18-12-13-22(31-2)21(14-18)27-23(28)19-6-4-5-7-20(19)26-25(27)33-15-16-8-10-17(11-9-16)24(29)32-3/h4-14H,15H2,1-3H3