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

Systemtic Name: 5-(2-cyclopropylethynyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(2-cyclopropylethynyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(2-cyclopropylethynyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(2-cyclopropylethynyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(2-cyclopropylethynyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C#CC3CC3)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C#CC3CC3)C(=O)O)C(C)C

InChI

InChI=1S/C21H27NO3S/c1-13(2)22(20(23)16-9-4-14(3)5-10-16)18-12-17(11-8-15-6-7-15)26-19(18)21(24)25/h12-16H,4-7,9-10H2,1-3H3,(H,24,25)