ethyl 5-methyl-2-[4-(3-methylphenoxy)butanoylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[4-(3-methylphenoxy)butanoylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[4-(3-methylphenoxy)butanoylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[4-(3-methylphenoxy)-1-oxobutyl]amino]-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[4-(3-methylphenoxy)butanoylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 5-methyl-2-[4-(3-methylphenoxy)butanoylamino]-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O6S/c1-4-32-25(29)23-22(18-10-12-19(13-11-18)27(30)31)17(3)34-24(23)26-21(28)9-6-14-33-20-8-5-7-16(2)15-20/h5,7-8,10-13,15H,4,6,9,14H2,1-3H3,(H,26,28)