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

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate CAS Name: 4-(3-nitrophenyl)-2-[(1-oxo-4-phenoxybutyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-(4-phenoxybutanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O6S/c1-2-30-23(27)21-19(16-8-6-9-17(14-16)25(28)29)15-32-22(21)24-20(26)12-7-13-31-18-10-4-3-5-11-18/h3-6,8-11,14-15H,2,7,12-13H2,1H3,(H,24,26)