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

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-2-(cyanomethylthio)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-2-(cyanomethylthio)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C19H14ClN3O3S MolecularWeight: 399.85076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CC3=CC=CC=C3Cl

InChI

InChI=1S/C19H14ClN3O3S/c1-26-18(25)12-6-7-14-16(10-12)22-19(27-9-8-21)23(17(14)24)11-13-4-2-3-5-15(13)20/h2-7,10H,9,11H2,1H3