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

Systemtic Name: 5-(3,3-dimethylbut-1-ynyl)-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-3-carboxylic acid Openeye Name: 5-(3,3-dimethylbut-1-ynyl)-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-3-carboxylic acid CAS Name: 5-(3,3-dimethylbut-1-ynyl)-2-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-3-thiophenecarboxylic acid IUPAC Name: 5-(3,3-dimethylbut-1-ynyl)-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-3-carboxylic acid Traditional Name: 5-(3,3-dimethylbut-1-ynyl)-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-3-thenoic acid Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3S/c1-14(2)23(19(24)16-9-7-15(3)8-10-16)20-18(21(25)26)13-17(27-20)11-12-22(4,5)6/h13-16H,7-10H2,1-6H3,(H,25,26)