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

Systemtic Name: 5-(4-methoxyphenyl)-3-[(4-methyl-2-oxidanyl-cyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 3-[(2-hydroxy-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-(4-methoxyphenyl)thiophene-2-carboxylic acid CAS Name: 3-[[(2-hydroxy-4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-(4-methoxyphenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-hydroxy-4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-(4-methoxyphenyl)thiophene-2-carboxylic acid Traditional Name: 3-[(2-hydroxy-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-(4-methoxyphenyl)-2-thenoic acid Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-13(2)24(22(26)17-10-5-14(3)11-19(17)25)18-12-20(30-21(18)23(27)28)15-6-8-16(29-4)9-7-15/h6-9,12-14,17,19,25H,5,10-11H2,1-4H3,(H,27,28)