5-(2-cyclohexylethynyl)-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-3-carboxylic acid

Systemtic Name: 5-(2-cyclohexylethynyl)-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-3-carboxylic acid Openeye Name: 5-(2-cyclohexylethynyl)-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-3-carboxylic acid CAS Name: 5-(2-cyclohexylethynyl)-2-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-3-thiophenecarboxylic acid IUPAC Name: 5-(2-cyclohexylethynyl)-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-3-carboxylic acid Traditional Name: 5-(2-cyclohexylethynyl)-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-3-thenoic acid Formula: C24H33NO3S MolecularWeight: 415.58872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(C=C(S2)C#CC3CCCCC3)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(C=C(S2)C#CC3CCCCC3)C(=O)O)C(C)C

InChI

InChI=1S/C24H33NO3S/c1-16(2)25(22(26)19-12-9-17(3)10-13-19)23-21(24(27)28)15-20(29-23)14-11-18-7-5-4-6-8-18/h15-19H,4-10,12-13H2,1-3H3,(H,27,28)