ethyl 4,5-dimethyl-2-[3-(phenylmethyl)sulfonylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(phenylmethyl)sulfonylpropanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-(3-benzylsulfonylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-benzylsulfonylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(3-benzylsulfonylpropanoylamino)-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)CCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

InChI

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