[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c22-11-12-23(18-7-2-1-3-8-18)20(24)14-26-21(25)15-27-19-10-9-16-5-4-6-17(16)13-19/h1-3,7-10,13H,4-6,12,14-15H2