methyl 7-(trifluoromethyl)-1,5-dihydro-4,1-benzothiazepine-3-carboxylate

Systemtic Name: methyl 7-(trifluoromethyl)-1,5-dihydro-4,1-benzothiazepine-3-carboxylate Openeye Name: methyl 7-(trifluoromethyl)-1,5-dihydro-4,1-benzothiazepine-3-carboxylate CAS Name: 7-(trifluoromethyl)-1,5-dihydro-4,1-benzothiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 7-(trifluoromethyl)-1,5-dihydro-4,1-benzothiazepine-3-carboxylate Traditional Name: 7-(trifluoromethyl)-1,5-dihydro-4,1-benzothiazepine-3-carboxylic acid methyl ester Formula: C12H10F3NO2S MolecularWeight: 289.27351

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC2=C(CS1)C=C(C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CNC2=C(CS1)C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H10F3NO2S/c1-18-11(17)10-5-16-9-3-2-8(12(13,14)15)4-7(9)6-19-10/h2-5,16H,6H2,1H3