3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-cyclopropyl-6-methylsulfanyl-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-cyclopropyl-6-methylsulfanyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-cyclopropyl-6-methylsulfanyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-cyclopropyl-6-(methylthio)-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-cyclopropyl-6-methylsulfanyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-2-cyclopropyl-6-(methylthio)-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C25H24F6N2O4S MolecularWeight: 562.524479

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2CC3=C(C=CC(=C3)SC)N(C2C4CC4)C(=O)O

Isomeric SMILES

COC(=O)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2CC3=C(C=CC(=C3)SC)N(C2C4CC4)C(=O)O

InChI

InChI=1S/C25H24F6N2O4S/c1-37-23(36)32(12-13-7-16(24(26,27)28)11-17(8-13)25(29,30)31)20-10-15-9-18(38-2)5-6-19(15)33(22(34)35)21(20)14-3-4-14/h5-9,11,14,20-21H,3-4,10,12H2,1-2H3,(H,34,35)