5-(4-hydroxyphenyl)-3-[[(1S,2R,4S)-4-methyl-2-oxidanyl-cyclohexyl]carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-hydroxyphenyl)-3-[[(1S,2R,4S)-4-methyl-2-oxidanyl-cyclohexyl]carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 3-[[(1S,2R,4S)-2-hydroxy-4-methyl-cyclohexanecarbonyl]-isopropyl-amino]-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid CAS Name: 3-[[[(1S,2R,4S)-2-hydroxy-4-methylcyclohexyl]-oxomethyl]-propan-2-ylamino]-5-(4-hydroxyphenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[[(1S,2R,4S)-2-hydroxy-4-methylcyclohexanecarbonyl]-propan-2-ylamino]-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid Traditional Name: 3-[[(1S,2R,4S)-2-hydroxy-4-methyl-cyclohexanecarbonyl]-isopropyl-amino]-5-(4-hydroxyphenyl)-2-thenoic acid Formula: C22H27NO5S MolecularWeight: 417.51848

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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)O)C(=O)O)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@@H](C1)O)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)O)C(=O)O)C(C)C

InChI

InChI=1S/C22H27NO5S/c1-12(2)23(21(26)16-9-4-13(3)10-18(16)25)17-11-19(29-20(17)22(27)28)14-5-7-15(24)8-6-14/h5-8,11-13,16,18,24-25H,4,9-10H2,1-3H3,(H,27,28)/t13-,16-,18+/m0/s1