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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-phenylsulfanylethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O3S/c20-10-11-22-17(21-16-9-5-4-8-15(16)19(22)24)12-25-18(23)13-26-14-6-2-1-3-7-14/h1-9H,11-13H2