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

Systemtic Name: methyl 4-[[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(3,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(3,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(3,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H16Cl2N2O3S MolecularWeight: 471.35574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H16Cl2N2O3S/c1-30-22(29)15-8-6-14(7-9-15)13-31-23-26-20-5-3-2-4-17(20)21(28)27(23)16-10-11-18(24)19(25)12-16/h2-12H,13H2,1H3