ethyl 2-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6S/c1-3-29-22(26)17-12-19(15-7-5-4-6-8-15)31-21(17)23-20(25)13-30-16-9-10-18(24(27)28)14(2)11-16/h4-12H,3,13H2,1-2H3,(H,23,25)