ethyl 2-[4-(3-methylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(3-methylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(3-methylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(3-methylphenoxy)-1-oxobutyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-methylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(3-methylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H24N2O6S MolecularWeight: 468.52216

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O6S/c1-3-31-24(28)22-20(17-8-5-9-18(14-17)26(29)30)15-33-23(22)25-21(27)11-6-12-32-19-10-4-7-16(2)13-19/h4-5,7-10,13-15H,3,6,11-12H2,1-2H3,(H,25,27)