3-[(4-methyl-2-oxidanylidene-cyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methyl-2-oxidanylidene-cyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methyl-2-oxo-cyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methyl-2-oxocyclohexyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methyl-2-oxocyclohexanecarbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(2-keto-4-methyl-cyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(C(=O)C1)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C

InChI

InChI=1S/C22H25NO4S/c1-13(2)23(21(25)16-10-9-14(3)11-18(16)24)17-12-19(28-20(17)22(26)27)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11H2,1-3H3,(H,26,27)