2-[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-1,3-dithiane-2-carboxylic acid

Systemtic Name: 2-[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-1,3-dithiane-2-carboxylic acid Openeye Name: 2-[1-(benzyloxycarbonylamino)-2-cyclohexyl-ethyl]-1,3-dithiane-2-carboxylic acid CAS Name: 2-[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-1,3-dithiane-2-carboxylic acid IUPAC Name: 2-[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-1,3-dithiane-2-carboxylic acid Traditional Name: 2-[1-(benzyloxycarbonylamino)-2-cyclohexyl-ethyl]-1,3-dithiane-2-carboxylic acid Formula: C21H29NO4S2 MolecularWeight: 423.58926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C2(SCCCS2)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CC(C2(SCCCS2)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H29NO4S2/c23-19(24)21(27-12-7-13-28-21)18(14-16-8-3-1-4-9-16)22-20(25)26-15-17-10-5-2-6-11-17/h2,5-6,10-11,16,18H,1,3-4,7-9,12-15H2,(H,22,25)(H,23,24)