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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCC(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCC(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C23H17N3O3S/c24-11-12-26-21(25-20-8-4-3-7-19(20)23(26)28)14-29-22(27)15-30-18-10-9-16-5-1-2-6-17(16)13-18/h1-10,13H,12,14-15H2