ethyl 4,5-dimethyl-2-(3-methylsulfonylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(3-methylsulfonylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-(3-methylsulfonylpropanoylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[(3-methylsulfonyl-1-oxopropyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(3-methylsulfonylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(3-mesylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C13H19NO5S2 MolecularWeight: 333.42366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCS(=O)(=O)C

InChI

InChI=1S/C13H19NO5S2/c1-5-19-13(16)11-8(2)9(3)20-12(11)14-10(15)6-7-21(4,17)18/h5-7H2,1-4H3,(H,14,15)