ethyl 4-cyano-3-methyl-5-[2-(phenylsulfonyl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(phenylsulfonyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(benzenesulfonyl)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(benzenesulfonyl)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(benzenesulfonyl)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(2-besylacetyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O5S2 MolecularWeight: 392.44934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S2/c1-3-24-17(21)15-11(2)13(9-18)16(25-15)19-14(20)10-26(22,23)12-7-5-4-6-8-12/h4-8H,3,10H2,1-2H3,(H,19,20)