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

Systemtic Name: ethyl 2-[2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoylamino]-5-propyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethyl]amino]-5-propyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[2-[3-keto-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]-5-propyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H21F3N2O4S2 MolecularWeight: 486.52765

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C21H21F3N2O4S2/c1-3-5-12-9-13(20(29)30-4-2)19(31-12)26-17(27)10-16-18(28)25-14-8-11(21(22,23)24)6-7-15(14)32-16/h6-9,16H,3-5,10H2,1-2H3,(H,25,28)(H,26,27)