ethyl 4,5-dimethyl-2-[3-(phenylsulfonyl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(phenylsulfonyl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(benzenesulfonyl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzenesulfonyl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(3-besylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21NO5S2/c1-4-24-18(21)16-12(2)13(3)25-17(16)19-15(20)10-11-26(22,23)14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,19,20)