ethyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(3-chlorophenyl)-1-oxopropyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(3-chlorophenyl)propanoylamino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24ClNO4S MolecularWeight: 457.96966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H24ClNO4S/c1-3-29-19-11-9-17(10-12-19)20-15-31-23(22(20)24(28)30-4-2)26-21(27)13-8-16-6-5-7-18(25)14-16/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H,26,27)