2-(thiophen-2-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(thiophen-2-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-thienylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(thiophen-2-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(thiophen-2-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2-thenyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H14F3NO2S MolecularWeight: 341.34807

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)C(F)(F)F)CC3=CC=CS3)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)C(F)(F)F)CC3=CC=CS3)C(=O)O

InChI

InChI=1S/C16H14F3NO2S/c17-16(18,19)12-4-3-10-7-14(15(21)22)20(8-11(10)6-12)9-13-2-1-5-23-13/h1-6,14H,7-9H2,(H,21,22)