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

Systemtic Name: methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(3-chlorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(3-chlorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxy-3-ethoxyphenyl)-1-oxopropyl]amino]-4-(3-chlorophenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-4-(3-chlorophenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(3-chlorophenyl)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C28H32ClNO5S MolecularWeight: 530.07538

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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(=CC=C3)Cl)C(=O)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H32ClNO5S/c1-5-7-15-35-22-13-11-19(16-23(22)34-6-2)12-14-24(31)30-27-26(28(32)33-4)25(18(3)36-27)20-9-8-10-21(29)17-20/h8-11,13,16-17H,5-7,12,14-15H2,1-4H3,(H,30,31)