N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H19F3N2O4S MolecularWeight: 440.43607

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H19F3N2O4S/c1-28-7-8-29-16-4-3-13(20(21,22)23)11-14(16)25-19(27)12-2-5-17-15(10-12)24-18(26)6-9-30-17/h2-5,10-11H,6-9H2,1H3,(H,24,26)(H,25,27)