[2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-2-thienyl]amino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[[5-[dimethylamino(oxo)methyl]-3-ethoxycarbonyl-4-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[[3-carbethoxy-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl] ester Formula: C18H19N3O9S MolecularWeight: 453.42316

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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(O2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O9S/c1-5-28-18(25)13-9(2)14(16(23)20(3)4)31-15(13)19-11(22)8-29-17(24)10-6-7-12(30-10)21(26)27/h6-7H,5,8H2,1-4H3,(H,19,22)