methyl 5-[[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-2-methoxy-3-methyl-benzoate

Systemtic Name: methyl 5-[[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-2-methoxy-3-methyl-benzoate Openeye Name: methyl 5-[[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-2-methoxy-3-methyl-benzoate CAS Name: 5-[[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-methoxy-3-methylbenzoic acid methyl ester IUPAC Name: methyl 5-[[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-2-methoxy-3-methylbenzoate Traditional Name: 5-[[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]-2-methoxy-3-methyl-benzoic acid methyl ester Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)C(=O)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)C(=O)OC)OC

InChI

InChI=1S/C25H21ClN2O4S/c1-15-12-16(13-20(22(15)31-2)24(30)32-3)14-33-25-27-21-7-5-4-6-19(21)23(29)28(25)18-10-8-17(26)9-11-18/h4-13H,14H2,1-3H3