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

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-chlorophenyl)propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-chlorophenyl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-chlorophenyl)propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(4-chlorophenyl)propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClNO3S/c1-2-27-22(26)20-18(16-6-4-3-5-7-16)14-28-21(20)24-19(25)13-10-15-8-11-17(23)12-9-15/h3-9,11-12,14H,2,10,13H2,1H3,(H,24,25)