ethyl 6-methyl-2-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-(4-methylsulfonyl-3-nitro-benzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-[(4-methylsulfonyl-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-(4-methylsulfonyl-3-nitrobenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-mesyl-3-nitro-benzoyl)oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H24N2O9S2 MolecularWeight: 524.56396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O9S2/c1-4-32-22(27)19-14-7-5-12(2)9-16(14)34-20(19)23-18(25)11-33-21(26)13-6-8-17(35(3,30)31)15(10-13)24(28)29/h6,8,10,12H,4-5,7,9,11H2,1-3H3,(H,23,25)