methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxy-3-ethoxyphenyl)-1-oxopropyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C29H35NO5S MolecularWeight: 509.6569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)CC)C(=O)OC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)CC)C(=O)OC)OCC

InChI

InChI=1S/C29H35NO5S/c1-5-8-17-35-24-15-11-21(18-25(24)34-7-3)12-16-26(31)30-28-27(29(32)33-4)23(19-36-28)22-13-9-20(6-2)10-14-22/h9-11,13-15,18-19H,5-8,12,16-17H2,1-4H3,(H,30,31)