ethyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[3-[(4-chlorophenyl)thio]propanoylamino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H20ClNO3S2 MolecularWeight: 445.9821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClNO3S2/c1-2-27-22(26)21-18(14-19(29-21)15-6-4-3-5-7-15)24-20(25)12-13-28-17-10-8-16(23)9-11-17/h3-11,14H,2,12-13H2,1H3,(H,24,25)