ethyl 4,5-dimethyl-2-[2-(4-methylphenyl)sulfonylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(4-methylphenyl)sulfonylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(p-tolylsulfonyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(2-tosylacetyl)amino]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)CS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S2/c1-5-24-18(21)16-12(3)13(4)25-17(16)19-15(20)10-26(22,23)14-8-6-11(2)7-9-14/h6-9H,5,10H2,1-4H3,(H,19,20)