6-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(1,1-dioxothiolan-3-yl)-ethyl-carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(1,1-dioxo-3-thiolanyl)-ethylamino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(1,1-dioxothiolan-3-yl)-ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(1,1-diketothiolan-3-yl)-ethyl-carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)C2CC=CCC2C(=O)O

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)C2CC=CCC2C(=O)O

InChI

InChI=1S/C14H21NO5S/c1-2-15(10-7-8-21(19,20)9-10)13(16)11-5-3-4-6-12(11)14(17)18/h3-4,10-12H,2,5-9H2,1H3,(H,17,18)