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

Systemtic Name: 4-oxidanylidene-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H19F3N2O3S MolecularWeight: 424.43667

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H19F3N2O3S/c1-2-8-28-16-5-4-13(20(21,22)23)11-14(16)25-19(27)12-3-6-17-15(10-12)24-18(26)7-9-29-17/h3-6,10-11H,2,7-9H2,1H3,(H,24,26)(H,25,27)