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

Systemtic Name: ethyl 3-methyl-5-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[4-(p-tolylsulfonyl)butanoylamino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[4-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-(4-tosylbutanoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C19H23NO5S2/c1-4-25-19(22)18-14(3)12-17(26-18)20-16(21)6-5-11-27(23,24)15-9-7-13(2)8-10-15/h7-10,12H,4-6,11H2,1-3H3,(H,20,21)