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

Systemtic Name: ethyl 5-methyl-4-(4-nitrophenyl)-2-(pentanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-(4-nitrophenyl)-2-(pentanoylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-nitrophenyl)-2-(1-oxopentylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-nitrophenyl)-2-(pentanoylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-(4-nitrophenyl)-2-(valerylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-4-6-7-15(22)20-18-17(19(23)26-5-2)16(12(3)27-18)13-8-10-14(11-9-13)21(24)25/h8-11H,4-7H2,1-3H3,(H,20,22)