4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-8-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzothiazepine-2-carboxylic acid

Systemtic Name: 4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-8-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzothiazepine-2-carboxylic acid Openeye Name: 4-(4-oxocyclohexa-2,5-dien-1-ylidene)-8-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzothiazepine-2-carboxylic acid CAS Name: 4-(4-oxo-1-cyclohexa-2,5-dienylidene)-8-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzothiazepine-2-carboxylic acid IUPAC Name: 4-(4-oxocyclohexa-2,5-dien-1-ylidene)-8-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzothiazepine-2-carboxylic acid Traditional Name: 4-(4-ketocyclohexa-2,5-dien-1-ylidene)-8-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzothiazepine-2-carboxylic acid Formula: C17H12F3NO3S MolecularWeight: 367.34229

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=C(C=CC(=C2)C(F)(F)F)NC1=C3C=CC(=O)C=C3)C(=O)O

Isomeric SMILES

C1C(SC2=C(C=CC(=C2)C(F)(F)F)NC1=C3C=CC(=O)C=C3)C(=O)O

InChI

InChI=1S/C17H12F3NO3S/c18-17(19,20)10-3-6-12-14(7-10)25-15(16(23)24)8-13(21-12)9-1-4-11(22)5-2-9/h1-7,15,21H,8H2,(H,23,24)