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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2=C(C=CC(=C2)C(F)(F)F)N(C1(C3CC3)N)C(=O)O)CC4=CC(=CS4)Br

Isomeric SMILES

COC(=O)C1(CC2=C(C=CC(=C2)C(F)(F)F)N(C1(C3CC3)N)C(=O)O)CC4=CC(=CS4)Br

InChI

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