1-ethyl-2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4,4-bis(methylsulfanyl)cyclohex-2-ene-1-carboxylic acid

Systemtic Name: 1-ethyl-2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4,4-bis(methylsulfanyl)cyclohex-2-ene-1-carboxylic acid Openeye Name: 1-ethyl-2-methyl-3-(3-methylisoxazol-5-yl)-4,4-bis(methylsulfanyl)cyclohex-2-ene-1-carboxylic acid CAS Name: 1-ethyl-2-methyl-3-(3-methyl-5-isoxazolyl)-4,4-bis(methylthio)-1-cyclohex-2-enecarboxylic acid IUPAC Name: 1-ethyl-2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4,4-bis(methylsulfanyl)cyclohex-2-ene-1-carboxylic acid Traditional Name: 1-ethyl-2-methyl-3-(3-methylisoxazol-5-yl)-4,4-bis(methylthio)cyclohex-2-ene-1-carboxylic acid Formula: C16H23NO3S2 MolecularWeight: 341.48872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(C(=C1C)C2=CC(=NO2)C)(SC)SC)C(=O)O

Isomeric SMILES

CCC1(CCC(C(=C1C)C2=CC(=NO2)C)(SC)SC)C(=O)O

InChI

InChI=1S/C16H23NO3S2/c1-6-15(14(18)19)7-8-16(21-4,22-5)13(11(15)3)12-9-10(2)17-20-12/h9H,6-8H2,1-5H3,(H,18,19)