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

Systemtic Name: ethyl 4,5-dimethyl-2-[4-(phenylsulfonyl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(benzenesulfonyl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzenesulfonyl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(4-besylbutanoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5S2/c1-4-25-19(22)17-13(2)14(3)26-18(17)20-16(21)11-8-12-27(23,24)15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,20,21)