methyl 3-[(2-chlorophenyl)methyl]-2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-2-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-2-[[2-(2-cyanoethylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-2-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-2-[[2-(2-cyanoethylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H19ClN4O4S MolecularWeight: 470.92866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O4S/c1-31-21(30)14-7-8-16-18(11-14)26-22(32-13-19(28)25-10-4-9-24)27(20(16)29)12-15-5-2-3-6-17(15)23/h2-3,5-8,11H,4,10,12-13H2,1H3,(H,25,28)