ethyl 2-(butanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(butanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(butanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-nitrophenyl)-2-(1-oxobutylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(butanoylamino)-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-butyramido-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(S1)C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(S1)C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H20N2O5S/c1-4-6-14(21)19-17-16(18(22)25-5-2)15(11(3)26-17)12-7-9-13(10-8-12)20(23)24/h7-10H,4-6H2,1-3H3,(H,19,21)