ethyl 5-ethyl-2-[2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoyloxy]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoyloxy]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[2-[methyl(p-tolylsulfonyl)amino]acetyl]oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[2-[methyl(tosyl)amino]acetyl]oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C21H26N2O7S2/c1-5-15-11-17(21(26)29-6-2)20(31-15)22-18(24)13-30-19(25)12-23(4)32(27,28)16-9-7-14(3)8-10-16/h7-11H,5-6,12-13H2,1-4H3,(H,22,24)