4-[(4-bromanylthiophen-2-yl)methyl-methoxycarbonyl-amino]-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 4-[(4-bromanylthiophen-2-yl)methyl-methoxycarbonyl-amino]-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 4-[(4-bromo-2-thienyl)methyl-methoxycarbonyl-amino]-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 4-[(4-bromo-2-thiophenyl)methyl-methoxycarbonylamino]-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 4-[(4-bromothiophen-2-yl)methyl-methoxycarbonylamino]-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 4-[(4-bromo-2-thienyl)methyl-carbomethoxy-amino]-2-cyclopropyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C21H20BrF3N2O4S MolecularWeight: 533.35871

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CC1=CC(=CS1)Br)C2CC(N(C3=C2C=C(C=C3)C(F)(F)F)C(=O)O)C4CC4

Isomeric SMILES

COC(=O)N(CC1=CC(=CS1)Br)C2CC(N(C3=C2C=C(C=C3)C(F)(F)F)C(=O)O)C4CC4

InChI

InChI=1S/C21H20BrF3N2O4S/c1-31-20(30)26(9-14-7-13(22)10-32-14)18-8-17(11-2-3-11)27(19(28)29)16-5-4-12(6-15(16)18)21(23,24)25/h4-7,10-11,17-18H,2-3,8-9H2,1H3,(H,28,29)