diethyl 3-methyl-5-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-[(5-nitro-2-pyridyl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(5-nitro-2-pyridinyl)thio]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(5-nitro-2-pyridyl)thio]acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H19N3O7S2 MolecularWeight: 453.48936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S2/c1-4-27-17(23)14-10(3)15(18(24)28-5-2)30-16(14)20-12(22)9-29-13-7-6-11(8-19-13)21(25)26/h6-8H,4-5,9H2,1-3H3,(H,20,22)