ethyl 3-methyl-5-(3-methylsulfonylpropanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(3-methylsulfonylpropanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-(3-methylsulfonylpropanoylamino)thiophene-2-carboxylate CAS Name: 3-methyl-5-[(3-methylsulfonyl-1-oxopropyl)amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(3-methylsulfonylpropanoylamino)thiophene-2-carboxylate Traditional Name: 5-(3-mesylpropanoylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C12H17NO5S2 MolecularWeight: 319.39708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CCS(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CCS(=O)(=O)C)C

InChI

InChI=1S/C12H17NO5S2/c1-4-18-12(15)11-8(2)7-10(19-11)13-9(14)5-6-20(3,16)17/h7H,4-6H2,1-3H3,(H,13,14)