dimethyl 3-methyl-5-[2-(2-nitropyridin-3-yl)oxyethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-(2-nitropyridin-3-yl)oxyethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(2-nitro-3-pyridinyl)oxy]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(2-nitropyridin-3-yl)oxyacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H15N3O8S MolecularWeight: 409.3706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H15N3O8S/c1-8-11(15(21)25-2)14(28-12(8)16(22)26-3)18-10(20)7-27-9-5-4-6-17-13(9)19(23)24/h4-6H,7H2,1-3H3,(H,18,20)