(1S,3R)-3-[[4-(2-propan-2-ylphenyl)sulfanyl-2,3-bis(trifluoromethyl)phenyl]methoxycarbonylamino]cyclopentane-1-carboxylic acid

Systemtic Name: (1S,3R)-3-[[4-(2-propan-2-ylphenyl)sulfanyl-2,3-bis(trifluoromethyl)phenyl]methoxycarbonylamino]cyclopentane-1-carboxylic acid Openeye Name: (1S,3R)-3-[[4-(2-isopropylphenyl)sulfanyl-2,3-bis(trifluoromethyl)phenyl]methoxycarbonylamino]cyclopentanecarboxylic acid CAS Name: (1S,3R)-3-[[oxo-[[4-[(2-propan-2-ylphenyl)thio]-2,3-bis(trifluoromethyl)phenyl]methoxy]methyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: (1S,3R)-3-[[4-(2-propan-2-ylphenyl)sulfanyl-2,3-bis(trifluoromethyl)phenyl]methoxycarbonylamino]cyclopentane-1-carboxylic acid Traditional Name: (1S,3R)-3-[[4-(o-cumenylthio)-2,3-bis(trifluoromethyl)benzyl]oxycarbonylamino]cyclopentanecarboxylic acid Formula: C25H25F6NO4S MolecularWeight: 549.525719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C(=C(C=C2)COC(=O)NC3CCC(C3)C(=O)O)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C(=C(C=C2)COC(=O)N[C@@H]3CC[C@@H](C3)C(=O)O)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H25F6NO4S/c1-13(2)17-5-3-4-6-18(17)37-19-10-8-15(20(24(26,27)28)21(19)25(29,30)31)12-36-23(35)32-16-9-7-14(11-16)22(33)34/h3-6,8,10,13-14,16H,7,9,11-12H2,1-2H3,(H,32,35)(H,33,34)/t14-,16+/m0/s1