ethyl 2-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[[3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[3-(cyanomethyl)-4-oxo-2-quinazolinyl]methylthio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methylsulfanyl]-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[3-(cyanomethyl)-4-keto-quinazolin-2-yl]methylthio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C23H21N5O3S/c1-3-27-19-10-9-15(22(30)31-4-2)13-18(19)26-23(27)32-14-20-25-17-8-6-5-7-16(17)21(29)28(20)12-11-24/h5-10,13H,3-4,12,14H2,1-2H3