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

Systemtic Name: methyl 2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[2-(2-cyanoethylamino)-2-oxoethyl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[[2-(2-cyanoethylamino)-2-keto-ethyl]thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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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)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCCC#N)CCC3=CC=CC=C3

InChI

InChI=1S/C23H22N4O4S/c1-31-22(30)17-8-9-18-19(14-17)26-23(32-15-20(28)25-12-5-11-24)27(21(18)29)13-10-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10,12-13,15H2,1H3,(H,25,28)