methyl 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(2-indan-5-ylsulfanylacetyl)amino]cyclohexanecarboxylate CAS Name: 1-[[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-(indan-5-ylthio)acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C19H25NO3S/c1-23-18(22)19(10-3-2-4-11-19)20-17(21)13-24-16-9-8-14-6-5-7-15(14)12-16/h8-9,12H,2-7,10-11,13H2,1H3,(H,20,21)