propan-2-yl 2-[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-1,3-dithiane-2-carboxylate

Systemtic Name: propan-2-yl 2-[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-1,3-dithiane-2-carboxylate Openeye Name: isopropyl 2-[1-(benzyloxycarbonylamino)-2-cyclohexyl-ethyl]-1,3-dithiane-2-carboxylate CAS Name: 2-[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-1,3-dithiane-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-1,3-dithiane-2-carboxylate Traditional Name: 2-[1-(benzyloxycarbonylamino)-2-cyclohexyl-ethyl]-1,3-dithiane-2-carboxylic acid isopropyl ester Formula: C24H35NO4S2 MolecularWeight: 465.669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1(SCCCS1)C(CC2CCCCC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1(SCCCS1)C(CC2CCCCC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H35NO4S2/c1-18(2)29-22(26)24(30-14-9-15-31-24)21(16-19-10-5-3-6-11-19)25-23(27)28-17-20-12-7-4-8-13-20/h4,7-8,12-13,18-19,21H,3,5-6,9-11,14-17H2,1-2H3,(H,25,27)