ethyl 4,5-dimethyl-2-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-[(5-nitro-2-pyridyl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(5-nitro-2-pyridinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(5-nitro-2-pyridyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S2/c1-4-24-16(21)14-9(2)10(3)26-15(14)18-12(20)8-25-13-6-5-11(7-17-13)19(22)23/h5-7H,4,8H2,1-3H3,(H,18,20)