methyl 3-[(2-chlorophenyl)methyl]-2-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-2-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-2-(2-methoxy-1-methyl-2-oxo-ethyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-2-[(1-methoxy-1-oxopropan-2-yl)thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-2-(1-methoxy-1-oxopropan-2-yl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-2-[(2-keto-2-methoxy-1-methyl-ethyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)OC)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H19ClN2O5S/c1-12(19(26)28-2)30-21-23-17-10-13(20(27)29-3)8-9-15(17)18(25)24(21)11-14-6-4-5-7-16(14)22/h4-10,12H,11H2,1-3H3