5-(3,3-dimethylbut-1-ynyl)-3-[(4-methoxycyclohexyl)-(4-methylcyclohexyl)carbonyl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methoxycyclohexyl)-(4-methylcyclohexyl)carbonyl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methoxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C26H37NO4S MolecularWeight: 459.64128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCC(CC2)OC)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCC(CC2)OC)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)O

InChI

InChI=1S/C26H37NO4S/c1-17-6-8-18(9-7-17)24(28)27(19-10-12-20(31-5)13-11-19)22-16-21(14-15-26(2,3)4)32-23(22)25(29)30/h16-20H,6-13H2,1-5H3,(H,29,30)