diethyl 5-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(4-butoxy-3-ethoxyphenyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H35NO7S MolecularWeight: 505.6236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)OCC

InChI

InChI=1S/C26H35NO7S/c1-6-10-15-34-19-13-11-18(16-20(19)31-7-2)12-14-21(28)27-24-22(25(29)32-8-3)17(5)23(35-24)26(30)33-9-4/h11,13,16H,6-10,12,14-15H2,1-5H3,(H,27,28)