[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 4-cyclohexylbenzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 4-cyclohexylbenzoate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-2-oxo-ethyl] 4-cyclohexylbenzoate CAS Name: 4-cyclohexylbenzoic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4-cyclohexylbenzoate Traditional Name: 4-cyclohexylbenzoic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H27NO5S MolecularWeight: 393.49708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C20H27NO5S/c1-21(18-11-12-27(24,25)14-18)19(22)13-26-20(23)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15,18H,2-6,11-14H2,1H3/t18-/m0/s1