methyl 4-[[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]benzoate

Systemtic Name: methyl 4-[[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]benzoate Openeye Name: methyl 4-[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzoate CAS Name: 4-[[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzoate Traditional Name: 4-[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzoic acid methyl ester Formula: C20H18F3NO3S MolecularWeight: 409.42203

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=C(S1)C=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1CCN(C2=C(S1)C=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18F3NO3S/c1-12-9-10-24(16-11-15(20(21,22)23)7-8-17(16)28-12)18(25)13-3-5-14(6-4-13)19(26)27-2/h3-8,11-12H,9-10H2,1-2H3