methyl 5-sulfanylidene-8-(trifluoromethyl)-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylate

Systemtic Name: methyl 5-sulfanylidene-8-(trifluoromethyl)-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylate Openeye Name: methyl 5-thioxo-8-(trifluoromethyl)-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylate CAS Name: 5-sulfanylidene-8-(trifluoromethyl)-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 5-sulfanylidene-8-(trifluoromethyl)-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylate Traditional Name: 5-thioxo-8-(trifluoromethyl)-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylic acid methyl ester Formula: C14H8F3NO3S2 MolecularWeight: 359.34343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)OC3=C(C=CC(=C3)C(F)(F)F)C(=S)N2

Isomeric SMILES

COC(=O)C1=CC2=C(S1)OC3=C(C=CC(=C3)C(F)(F)F)C(=S)N2

InChI

InChI=1S/C14H8F3NO3S2/c1-20-12(19)10-5-8-13(23-10)21-9-4-6(14(15,16)17)2-3-7(9)11(22)18-8/h2-5H,1H3,(H,18,22)