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

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-(3-methylsulfonylphenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-(3-methylsulfonylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-[(3-methylsulfonylphenyl)-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-(3-methylsulfonylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-(3-mesylbenzoyl)oxyacetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H23NO7S2 MolecularWeight: 453.52912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C20H23NO7S2/c1-5-15-12(3)29-18(17(15)20(24)27-6-2)21-16(22)11-28-19(23)13-8-7-9-14(10-13)30(4,25)26/h7-10H,5-6,11H2,1-4H3,(H,21,22)