ethyl 5-methyl-4-(4-methylphenyl)-2-[2-(2-nitropyridin-3-yl)oxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[2-(2-nitropyridin-3-yl)oxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[2-[(2-nitro-3-pyridinyl)oxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[[2-(2-nitropyridin-3-yl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6S/c1-4-30-22(27)19-18(15-9-7-13(2)8-10-15)14(3)32-21(19)24-17(26)12-31-16-6-5-11-23-20(16)25(28)29/h5-11H,4,12H2,1-3H3,(H,24,26)