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

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

CC(C(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N)SC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3S/c1-14(27-15-7-3-2-4-8-15)20(25)26-13-18-22-17-10-6-5-9-16(17)19(24)23(18)12-11-21/h2-10,14H,12-13H2,1H3/t14-/m1/s1