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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O3S/c1-27-19(26)13-7-8-15-17(11-13)23-20(28-10-4-9-22)24(18(15)25)12-14-5-2-3-6-16(14)21/h2-3,5-8,11H,4,10,12H2,1H3