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

Systemtic Name: ethyl 2-[4-(2-methylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-methylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-methylphenoxy)-1-oxobutyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-methylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-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=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCCOC3=CC=CC=C3C

InChI

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