ethyl 4-cyano-3-methyl-5-[2-(phenylmethyl)sulfonylethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(phenylmethyl)sulfonylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[(2-benzylsulfonylacetyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-benzylsulfonylacetyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(2-benzylsulfonylacetyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2)C#N)C

InChI

InChI=1S/C18H18N2O5S2/c1-3-25-18(22)16-12(2)14(9-19)17(26-16)20-15(21)11-27(23,24)10-13-7-5-4-6-8-13/h4-8H,3,10-11H2,1-2H3,(H,20,21)