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

Systemtic Name: methyl 4-[[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C25H22N2O3S/c1-16-8-13-20(14-17(16)2)27-23(28)21-6-4-5-7-22(21)26-25(27)31-15-18-9-11-19(12-10-18)24(29)30-3/h4-14H,15H2,1-3H3