ethyl 5-[3-(4-chlorophenyl)sulfonylpropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(4-chlorophenyl)sulfonylpropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(4-chlorophenyl)sulfonylpropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(4-chlorophenyl)sulfonyl-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-chlorophenyl)sulfonylpropanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-(4-chlorophenyl)sulfonylpropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H17ClN2O5S2 MolecularWeight: 440.92098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)C#N)C

InChI

InChI=1S/C18H17ClN2O5S2/c1-3-26-18(23)16-11(2)14(10-20)17(27-16)21-15(22)8-9-28(24,25)13-6-4-12(19)5-7-13/h4-7H,3,8-9H2,1-2H3,(H,21,22)