[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-phenylsulfanylpropanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-phenylsulfanylpropanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C20H17N3O3S/c21-11-12-23-18(22-17-9-5-4-8-16(17)20(23)25)14-26-19(24)10-13-27-15-6-2-1-3-7-15/h1-9H,10,12-14H2