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

Systemtic Name: methyl 4-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-3-veratryl-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C26H24N2O5S/c1-31-22-13-10-18(14-23(22)32-2)15-28-24(29)20-6-4-5-7-21(20)27-26(28)34-16-17-8-11-19(12-9-17)25(30)33-3/h4-14H,15-16H2,1-3H3