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

Systemtic Name: methyl 4-[[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)OC

InChI

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