2-azanyl-2-cyclopropyl-4-methoxycarbonyl-3-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-3,4-dihydroquinoline-1-carboxylic acid

Systemtic Name: 2-azanyl-2-cyclopropyl-4-methoxycarbonyl-3-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-3,4-dihydroquinoline-1-carboxylic acid Openeye Name: 2-amino-2-cyclopropyl-4-methoxycarbonyl-3-(2-thienylmethyl)-6-(trifluoromethyl)-3,4-dihydroquinoline-1-carboxylic acid CAS Name: 2-amino-2-cyclopropyl-4-methoxycarbonyl-3-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-3,4-dihydroquinoline-1-carboxylic acid IUPAC Name: 2-amino-2-cyclopropyl-4-methoxycarbonyl-3-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-3,4-dihydroquinoline-1-carboxylic acid Traditional Name: 2-amino-4-carbomethoxy-2-cyclopropyl-3-(2-thenyl)-6-(trifluoromethyl)-3,4-dihydroquinoline-1-carboxylic acid Formula: C21H21F3N2O4S MolecularWeight: 454.46265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(N(C2=C1C=C(C=C2)C(F)(F)F)C(=O)O)(C3CC3)N)CC4=CC=CS4

Isomeric SMILES

COC(=O)C1C(C(N(C2=C1C=C(C=C2)C(F)(F)F)C(=O)O)(C3CC3)N)CC4=CC=CS4

InChI

InChI=1S/C21H21F3N2O4S/c1-30-18(27)17-14-9-12(21(22,23)24)6-7-16(14)26(19(28)29)20(25,11-4-5-11)15(17)10-13-3-2-8-31-13/h2-3,6-9,11,15,17H,4-5,10,25H2,1H3,(H,28,29)