methyl 4-[4-[(3,5-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]phenyl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[(3,5-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]phenyl]carbonylbenzoate Openeye Name: methyl 4-[4-[(3,5-dimethyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoyl]benzoate CAS Name: 4-[[4-[[(3,5-dimethyl-4-oxo-2-quinazolinyl)thio]methyl]phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(3,5-dimethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoyl]benzoate Traditional Name: 4-[4-[[(4-keto-3,5-dimethyl-quinazolin-2-yl)thio]methyl]benzoyl]benzoic acid methyl ester Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H22N2O4S/c1-16-5-4-6-21-22(16)24(30)28(2)26(27-21)33-15-17-7-9-18(10-8-17)23(29)19-11-13-20(14-12-19)25(31)32-3/h4-14H,15H2,1-3H3