3-azanyl-8-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 3-azanyl-8-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-amino-8-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-amino-8-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-amino-8-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-amino-8-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C16H13F3N2OS MolecularWeight: 338.34743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=C(S1)C=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)N

Isomeric SMILES

C1C(C(=O)NC2=C(S1)C=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C16H13F3N2OS/c17-16(18,19)11-4-1-9(2-5-11)10-3-6-13-14(7-10)23-8-12(20)15(22)21-13/h1-7,12H,8,20H2,(H,21,22)