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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylcyclohexyl)amino]-5-[(4R)-4-oxidanylcyclohexen-1-yl]thiophene-2-carboxylic acid Openeye Name: 5-[(4R)-4-hydroxycyclohexen-1-yl]-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[(4R)-4-hydroxy-1-cyclohexenyl]-3-[(4-hydroxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[(4R)-4-hydroxycyclohexen-1-yl]-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-[(4R)-4-hydroxycyclohexen-1-yl]-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C25H35NO5S MolecularWeight: 461.6141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C4=CC[C@@H](CC4)O)C(=O)O

InChI

InChI=1S/C25H35NO5S/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/h6,14-15,17-20,27-28H,2-5,7-13H2,1H3,(H,30,31)/t15?,17?,18?,19-,20?/m0/s1