ethyl 2-[2,2-bis(chloranyl)ethanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2,2-bis(chloranyl)ethanoylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2,2-dichloroacetyl)amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[(2,2-dichloro-1-oxoethyl)amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,2-dichloroacetyl)amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[(2,2-dichloroacetyl)amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C16H14Cl2N2O5S MolecularWeight: 417.26376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14Cl2N2O5S/c1-3-25-16(22)12-11(9-4-6-10(7-5-9)20(23)24)8(2)26-15(12)19-14(21)13(17)18/h4-7,13H,3H2,1-2H3,(H,19,21)