3,3-dimethyl-7-(trifluoromethyl)-1,5-dihydro-4,1-benzothiazepin-2-one

Systemtic Name: 3,3-dimethyl-7-(trifluoromethyl)-1,5-dihydro-4,1-benzothiazepin-2-one Openeye Name: 3,3-dimethyl-7-(trifluoromethyl)-1,5-dihydro-4,1-benzothiazepin-2-one CAS Name: 3,3-dimethyl-7-(trifluoromethyl)-1,5-dihydro-4,1-benzothiazepin-2-one IUPAC Name: 3,3-dimethyl-7-(trifluoromethyl)-1,5-dihydro-4,1-benzothiazepin-2-one Traditional Name: 3,3-dimethyl-7-(trifluoromethyl)-1,5-dihydro-4,1-benzothiazepin-2-one Formula: C12H12F3NOS MolecularWeight: 275.28999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=C(CS1)C=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CC1(C(=O)NC2=C(CS1)C=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C12H12F3NOS/c1-11(2)10(17)16-9-4-3-8(12(13,14)15)5-7(9)6-18-11/h3-5H,6H2,1-2H3,(H,16,17)