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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(2-phenylethynyl)thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(2-phenylethynyl)thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-(2-phenylethynyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-(2-phenylethynyl)thiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(2-phenylethynyl)-2-thenoic acid Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C#CC3=CC=CC=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C#CC3=CC=CC=C3)C(=O)O)C(C)C

InChI

InChI=1S/C24H27NO3S/c1-16(2)25(23(26)19-12-9-17(3)10-13-19)21-15-20(29-22(21)24(27)28)14-11-18-7-5-4-6-8-18/h4-8,15-17,19H,9-10,12-13H2,1-3H3,(H,27,28)