ethyl 4-ethyl-5-methyl-2-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-(4-methylsulfonyl-3-nitro-benzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-[(4-methylsulfonyl-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-(4-methylsulfonyl-3-nitrobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-(4-mesyl-3-nitro-benzoyl)oxyacetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O9S2 MolecularWeight: 498.52668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O9S2/c1-5-13-11(3)32-18(17(13)20(25)30-6-2)21-16(23)10-31-19(24)12-7-8-15(33(4,28)29)14(9-12)22(26)27/h7-9H,5-6,10H2,1-4H3,(H,21,23)