5-(cyclohexen-1-yl)-3-[[3-methyl-1-(4-methylcyclohexyl)carbonyl-cyclohexyl]amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(cyclohexen-1-yl)-3-[[3-methyl-1-(4-methylcyclohexyl)carbonyl-cyclohexyl]amino]thiophene-2-carboxylic acid Openeye Name: 5-(cyclohexen-1-yl)-3-[[3-methyl-1-(4-methylcyclohexanecarbonyl)cyclohexyl]amino]thiophene-2-carboxylic acid CAS Name: 5-(1-cyclohexenyl)-3-[[3-methyl-1-[(4-methylcyclohexyl)-oxomethyl]cyclohexyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(cyclohexen-1-yl)-3-[[3-methyl-1-(4-methylcyclohexanecarbonyl)cyclohexyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-(cyclohexen-1-yl)-3-[[3-methyl-1-(4-methylcyclohexanecarbonyl)cyclohexyl]amino]-2-thenoic acid Formula: C26H37NO3S MolecularWeight: 443.64188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)C2(CCCC(C2)C)NC3=C(SC(=C3)C4=CCCCC4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)C2(CCCC(C2)C)NC3=C(SC(=C3)C4=CCCCC4)C(=O)O

InChI

InChI=1S/C26H37NO3S/c1-17-10-12-20(13-11-17)24(28)26(14-6-7-18(2)16-26)27-21-15-22(31-23(21)25(29)30)19-8-4-3-5-9-19/h8,15,17-18,20,27H,3-7,9-14,16H2,1-2H3,(H,29,30)