methyl 3-[(2-chlorophenyl)methyl]-2-(1-cyanoethylsulfanyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-2-(1-cyanoethylsulfanyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-2-(1-cyanoethylsulfanyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-2-(1-cyanoethylthio)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-2-(1-cyanoethylsulfanyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-2-(1-cyanoethylthio)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O3S/c1-12(10-22)28-20-23-17-9-13(19(26)27-2)7-8-15(17)18(25)24(20)11-14-5-3-4-6-16(14)21/h3-9,12H,11H2,1-2H3