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

Systemtic Name: 3-[[(1S,2R,4S)-4-methyl-2-oxidanyl-cyclohexyl]carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[(1S,2R,4S)-2-hydroxy-4-methyl-cyclohexanecarbonyl]-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[[(1S,2R,4S)-2-hydroxy-4-methylcyclohexyl]-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[(1S,2R,4S)-2-hydroxy-4-methylcyclohexanecarbonyl]-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[(1S,2R,4S)-2-hydroxy-4-methyl-cyclohexanecarbonyl]-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H27NO4S/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/h4-8,12-14,16,18,24H,9-11H2,1-3H3,(H,26,27)/t14-,16-,18+/m0/s1