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

Systemtic Name: ethyl 5-ethyl-2-[2-(3-methyl-2-nitro-phenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(3-methyl-2-nitro-benzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[(3-methyl-2-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(3-methyl-2-nitrobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(3-methyl-2-nitro-benzoyl)oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C19H20N2O7S/c1-4-12-9-14(19(24)27-5-2)17(29-12)20-15(22)10-28-18(23)13-8-6-7-11(3)16(13)21(25)26/h6-9H,4-5,10H2,1-3H3,(H,20,22)