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

Systemtic Name: 4-oxidanylidene-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H15F3N2O2S MolecularWeight: 404.40551

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC#CC3=CC(=CC=C3)C(F)(F)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC#CC3=CC(=CC=C3)C(F)(F)F)NC1=O

InChI

InChI=1S/C20H15F3N2O2S/c21-20(22,23)15-5-1-3-13(11-15)4-2-9-24-19(27)14-6-7-17-16(12-14)25-18(26)8-10-28-17/h1,3,5-7,11-12H,8-10H2,(H,24,27)(H,25,26)