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

Systemtic Name: ethyl 2-(butanoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(butanoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 4-(3-nitrophenyl)-2-(1-oxobutylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(butanoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-butyramido-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC(=O)NC1=C(C(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H18N2O5S/c1-3-6-14(20)18-16-15(17(21)24-4-2)13(10-25-16)11-7-5-8-12(9-11)19(22)23/h5,7-10H,3-4,6H2,1-2H3,(H,18,20)