ethyl 5-ethyl-2-[2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[3-keto-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H19F3N2O4S2 MolecularWeight: 472.50107

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C20H19F3N2O4S2/c1-3-11-8-12(19(28)29-4-2)18(30-11)25-16(26)9-15-17(27)24-13-7-10(20(21,22)23)5-6-14(13)31-15/h5-8,15H,3-4,9H2,1-2H3,(H,24,27)(H,25,26)