methyl 2-(2-cyanoethylsulfanyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-cyanoethylsulfanyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-cyanoethylsulfanyl)-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-(2-cyanoethylthio)-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-cyanoethylsulfanyl)-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-(2-cyanoethylthio)-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-27-20(26)16-8-9-17-18(14-16)23-21(28-13-5-11-22)24(19(17)25)12-10-15-6-3-2-4-7-15/h2-4,6-9,14H,5,10,12-13H2,1H3