3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylcyclohexyl)amino]-5-(4-oxidanylidenecyclohexen-1-yl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylcyclohexyl)amino]-5-(4-oxidanylidenecyclohexen-1-yl)thiophene-2-carboxylic acid Openeye Name: 3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(4-oxocyclohexen-1-yl)thiophene-2-carboxylic acid CAS Name: 3-[(4-hydroxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-5-(4-oxo-1-cyclohexenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(4-oxocyclohexen-1-yl)thiophene-2-carboxylic acid Traditional Name: 3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(4-ketocyclohexen-1-yl)-2-thenoic acid Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C4=CCC(=O)CC4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C4=CCC(=O)CC4)C(=O)O

InChI

InChI=1S/C25H33NO5S/c1-15-2-4-17(5-3-15)24(29)26(18-8-12-20(28)13-9-18)21-14-22(32-23(21)25(30)31)16-6-10-19(27)11-7-16/h6,14-15,17-18,20,28H,2-5,7-13H2,1H3,(H,30,31)