methyl (2R)-4-cyclohexyl-2-(cyclohexylmethyl)-2-isothiocyanato-butanoate

Systemtic Name: methyl (2R)-4-cyclohexyl-2-(cyclohexylmethyl)-2-isothiocyanato-butanoate Openeye Name: methyl (2R)-4-cyclohexyl-2-(cyclohexylmethyl)-2-isothiocyanato-butanoate CAS Name: (2R)-4-cyclohexyl-2-(cyclohexylmethyl)-2-isothiocyanatobutanoic acid methyl ester IUPAC Name: methyl (2R)-4-cyclohexyl-2-(cyclohexylmethyl)-2-isothiocyanatobutanoate Traditional Name: (2R)-4-cyclohexyl-2-(cyclohexylmethyl)-2-isothiocyanato-butyric acid methyl ester Formula: C19H31NO2S MolecularWeight: 337.51994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1CCCCC1)(CC2CCCCC2)N=C=S

Isomeric SMILES

COC(=O)[C@@](CCC1CCCCC1)(CC2CCCCC2)N=C=S

InChI

InChI=1S/C19H31NO2S/c1-22-18(21)19(20-15-23,14-17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16/h16-17H,2-14H2,1H3/t19-/m1/s1