ethyl 3-(2-chlorophenyl)-5,7-dimethyl-4-oxidanylidene-2-(2-oxidanylidene-1-sulfanyl-propyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 3-(2-chlorophenyl)-5,7-dimethyl-4-oxidanylidene-2-(2-oxidanylidene-1-sulfanyl-propyl)quinazoline-6-carboxylate Openeye Name: ethyl 3-(2-chlorophenyl)-5,7-dimethyl-4-oxo-2-(2-oxo-1-sulfanyl-propyl)quinazoline-6-carboxylate CAS Name: 3-(2-chlorophenyl)-2-(1-mercapto-2-oxopropyl)-5,7-dimethyl-4-oxo-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-chlorophenyl)-5,7-dimethyl-4-oxo-2-(2-oxo-1-sulfanylpropyl)quinazoline-6-carboxylate Traditional Name: 3-(2-chlorophenyl)-4-keto-2-(2-keto-1-mercapto-propyl)-5,7-dimethyl-quinazoline-6-carboxylic acid ethyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=CC=C3Cl)C(C(=O)C)S)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=CC=C3Cl)C(C(=O)C)S)C

InChI

InChI=1S/C22H21ClN2O4S/c1-5-29-22(28)17-11(2)10-15-18(12(17)3)21(27)25(16-9-7-6-8-14(16)23)20(24-15)19(30)13(4)26/h6-10,19,30H,5H2,1-4H3