[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C20H17F3N2O5S MolecularWeight: 454.41959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)C=C1

InChI

InChI=1S/C20H17F3N2O5S/c1-10-3-4-12-8-17(31-16(12)7-10)19(27)30-11(2)18(26)24-15-6-5-13(25(28)29)9-14(15)20(21,22)23/h3-7,9,11,17H,8H2,1-2H3,(H,24,26)