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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(4-methylphenyl)sulfonylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(p-tolylsulfonyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(2-tosylacetyl)amino]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)C2=CC=C(C=C2)C)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S2/c1-4-25-18(22)16-12(3)14(9-19)17(26-16)20-15(21)10-27(23,24)13-7-5-11(2)6-8-13/h5-8H,4,10H2,1-3H3,(H,20,21)