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

Systemtic Name: ethyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(4-chlorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(4-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxy-3-ethoxyphenyl)-1-oxopropyl]amino]-4-(4-chlorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-4-(4-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid ethyl 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(=CS2)C3=CC=C(C=C3)Cl)C(=O)OCC)OCC

Isomeric SMILES

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

InChI

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