ethyl 2-[3-(3-chlorophenyl)propanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3-chlorophenyl)propanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-chlorophenyl)propanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(3-chlorophenyl)-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-chlorophenyl)propanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(3-chlorophenyl)propanoylamino]-5-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(=C1)C2=CC=CC=C2)NC(=O)CCC3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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