dimethyl 3-methyl-5-[2-[3-(4-methylphenyl)sulfonylpropanoyloxy]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-[3-(4-methylphenyl)sulfonylpropanoyloxy]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-[3-(p-tolylsulfonyl)propanoyloxy]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[3-(4-methylphenyl)sulfonyl-1-oxopropoxy]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-[3-(4-methylphenyl)sulfonylpropanoyloxy]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(3-tosylpropanoyloxy)acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H23NO9S2 MolecularWeight: 497.53862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C21H23NO9S2/c1-12-5-7-14(8-6-12)33(27,28)10-9-16(24)31-11-15(23)22-19-17(20(25)29-3)13(2)18(32-19)21(26)30-4/h5-8H,9-11H2,1-4H3,(H,22,23)