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

Systemtic Name: 3-oxidanyl-2-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C16H12F3NO2S MolecularWeight: 339.33219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(C(S2)C3=CC=C(C=C3)C(F)(F)F)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(C(S2)C3=CC=C(C=C3)C(F)(F)F)O

InChI

InChI=1S/C16H12F3NO2S/c17-16(18,19)10-7-5-9(6-8-10)14-13(21)15(22)20-11-3-1-2-4-12(11)23-14/h1-8,13-14,21H,(H,20,22)