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

Systemtic Name: [2-[[5-aminocarbonyl-3-(2-methoxyethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[[5-carbamoyl-3-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl] ester Formula: C17H17N3O10S MolecularWeight: 455.39598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C17H17N3O10S/c1-8-12(17(24)28-6-5-27-2)15(31-13(8)14(18)22)19-10(21)7-29-16(23)9-3-4-11(30-9)20(25)26/h3-4H,5-7H2,1-2H3,(H2,18,22)(H,19,21)