ethyl 2-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxyethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methylsulfonyl-3-nitro-benzoyl)oxyacetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(4-methylsulfonyl-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylsulfonyl-3-nitrobenzoyl)oxyacetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-mesyl-3-nitro-benzoyl)oxyacetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H18N2O9S3 MolecularWeight: 538.57062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O9S3/c1-3-31-21(26)18-13(15-5-4-8-33-15)11-34-19(18)22-17(24)10-32-20(25)12-6-7-16(35(2,29)30)14(9-12)23(27)28/h4-9,11H,3,10H2,1-2H3,(H,22,24)