N-[4-oxidanylidene-2-(trifluoromethyl)-5H-1,5-benzothiazepin-3-yl]butanamide

Systemtic Name: N-[4-oxidanylidene-2-(trifluoromethyl)-5H-1,5-benzothiazepin-3-yl]butanamide Openeye Name: N-[4-oxo-2-(trifluoromethyl)-5H-1,5-benzothiazepin-3-yl]butanamide CAS Name: N-[4-oxo-2-(trifluoromethyl)-5H-1,5-benzothiazepin-3-yl]butanamide IUPAC Name: N-[4-oxo-2-(trifluoromethyl)-5H-1,5-benzothiazepin-3-yl]butanamide Traditional Name: N-[4-keto-2-(trifluoromethyl)-5H-1,5-benzothiazepin-3-yl]butyramide Formula: C14H13F3N2O2S MolecularWeight: 330.32543

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(SC2=CC=CC=C2NC1=O)C(F)(F)F

Isomeric SMILES

CCCC(=O)NC1=C(SC2=CC=CC=C2NC1=O)C(F)(F)F

InChI

InChI=1S/C14H13F3N2O2S/c1-2-5-10(20)19-11-12(14(15,16)17)22-9-7-4-3-6-8(9)18-13(11)21/h3-4,6-7H,2,5H2,1H3,(H,18,21)(H,19,20)