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

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(4-methylsulfonyl-3-nitro-benzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[2-[(4-methylsulfonyl-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(4-methylsulfonyl-3-nitrobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[[2-(4-mesyl-3-nitro-benzoyl)oxyacetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O10S2 MolecularWeight: 541.55142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O10S2/c1-6-33-21(28)16-11(2)17(19(26)23(3)4)35-18(16)22-15(25)10-34-20(27)12-7-8-14(36(5,31)32)13(9-12)24(29)30/h7-9H,6,10H2,1-5H3,(H,22,25)