[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCC(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCC(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C22H18N2O3S/c23-12-11-16-5-8-19(9-6-16)24-21(25)14-27-22(26)15-28-20-10-7-17-3-1-2-4-18(17)13-20/h1-10,13H,11,14-15H2,(H,24,25)