5-oxidanidyl-4-(trifluoromethyl)-10H-benzo[d][2,1]benzothiazepin-5-ium-11-one

Systemtic Name: 5-oxidanidyl-4-(trifluoromethyl)-10H-benzo[d][2,1]benzothiazepin-5-ium-11-one Openeye Name: 5-oxido-4-(trifluoromethyl)-10H-benzo[d][2,1]benzothiazepin-5-ium-11-one CAS Name: 5-oxido-4-(trifluoromethyl)-10H-benzo[d][2,1]benzothiazepin-5-ium-11-one IUPAC Name: 5-oxido-4-(trifluoromethyl)-10H-benzo[d][2,1]benzothiazepin-5-ium-11-one Traditional Name: 5-oxido-4-(trifluoromethyl)-10H-benzo[d][2,1]benzothiazepin-5-ium-11-one Formula: C14H8F3NO2S MolecularWeight: 311.27903

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=CS[N+](=C3C(=C2C1=O)C=CC=C3C(F)(F)F)[O-]

Isomeric SMILES

C1C=CC2=CS[N+](=C3C(=C2C1=O)C=CC=C3C(F)(F)F)[O-]

InChI

InChI=1S/C14H8F3NO2S/c15-14(16,17)10-5-2-4-9-12-8(3-1-6-11(12)19)7-21-18(20)13(9)10/h1-5,7H,6H2