ethyl 2-(cyanomethylsulfanyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate

Systemtic Name: ethyl 2-(cyanomethylsulfanyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate Openeye Name: ethyl 3-benzyl-2-(cyanomethylsulfanyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(cyanomethylthio)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2-(cyanomethylsulfanyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 3-benzyl-2-(cyanomethylthio)-4-keto-quinazoline-7-carboxylic acid ethyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3S/c1-2-26-19(25)15-8-9-16-17(12-15)22-20(27-11-10-21)23(18(16)24)13-14-6-4-3-5-7-14/h3-9,12H,2,11,13H2,1H3