[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1H-indene-5-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1H-indene-5-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] indane-5-carboxylate CAS Name: 2,3-dihydro-1H-indene-5-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate Traditional Name: indane-5-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H18N2O3S/c21-10-11-26-18-7-2-1-6-17(18)22-19(23)13-25-20(24)16-9-8-14-4-3-5-15(14)12-16/h1-2,6-9,12H,3-5,11,13H2,(H,22,23)