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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CSC1=CC2=C(CCC2)C=C1)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CSC1=CC2=C(CCC2)C=C1)C3(CCCCC3)C#N

InChI

InChI=1S/C21H26N2O3S/c1-23(21(15-22)10-3-2-4-11-21)19(24)13-26-20(25)14-27-18-9-8-16-6-5-7-17(16)12-18/h8-9,12H,2-7,10-11,13-14H2,1H3