ethyl 4,5-dimethyl-2-[2-(3-methylsulfonylphenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(3-methylsulfonylphenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(3-methylsulfonylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(3-methylsulfonylphenyl)-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(3-methylsulfonylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(3-mesylbenzoyl)oxyacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21NO7S2 MolecularWeight: 439.50254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO7S2/c1-5-26-19(23)16-11(2)12(3)28-17(16)20-15(21)10-27-18(22)13-7-6-8-14(9-13)29(4,24)25/h6-9H,5,10H2,1-4H3,(H,20,21)