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

Systemtic Name: methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[3-[(4-chlorophenyl)thio]propanoylamino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C21H18ClNO3S2 MolecularWeight: 431.95552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO3S2/c1-26-21(25)20-17(13-18(28-20)14-5-3-2-4-6-14)23-19(24)11-12-27-16-9-7-15(22)8-10-16/h2-10,13H,11-12H2,1H3,(H,23,24)