4-methyl-2-[(2-oxidanylidenethiolan-3-yl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-methyl-2-[(2-oxidanylidenethiolan-3-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-2-[(2-oxotetrahydrothiophen-3-yl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-methyl-2-[oxo-[(2-oxo-3-thiolanyl)amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-methyl-2-[(2-oxothiolan-3-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(2-ketotetrahydrothiophen-3-yl)carbamoyl]-4-methyl-cyclohexanecarboxylic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(=O)NC2CCSC2=O)C(=O)O

Isomeric SMILES

CC1CCC(C(C1)C(=O)NC2CCSC2=O)C(=O)O

InChI

InChI=1S/C13H19NO4S/c1-7-2-3-8(12(16)17)9(6-7)11(15)14-10-4-5-19-13(10)18/h7-10H,2-6H2,1H3,(H,14,15)(H,16,17)