methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxy-3-ethoxyphenyl)-1-oxopropyl]amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C28H32FNO5S MolecularWeight: 513.620783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)F)C(=O)OC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)F)C(=O)OC)OCC

InChI

InChI=1S/C28H32FNO5S/c1-5-7-16-35-22-14-8-19(17-23(22)34-6-2)9-15-24(31)30-27-26(28(32)33-4)25(18(3)36-27)20-10-12-21(29)13-11-20/h8,10-14,17H,5-7,9,15-16H2,1-4H3,(H,30,31)