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

Systemtic Name: 3-[(4-methyl-2-oxidanyl-cyclohexyl)carbonyl-(oxan-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2-hydroxy-4-methyl-cyclohexanecarbonyl)-tetrahydropyran-4-yl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2-hydroxy-4-methylcyclohexyl)-oxomethyl]-(4-oxanyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-hydroxy-4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-hydroxy-4-methyl-cyclohexanecarbonyl)-tetrahydropyran-4-yl-amino]-5-phenyl-2-thenoic acid Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)O)C(=O)N(C2CCOCC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(C(C1)O)C(=O)N(C2CCOCC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H29NO5S/c1-15-7-8-18(20(26)13-15)23(27)25(17-9-11-30-12-10-17)19-14-21(31-22(19)24(28)29)16-5-3-2-4-6-16/h2-6,14-15,17-18,20,26H,7-13H2,1H3,(H,28,29)