methyl 2,4-dimethyl-5-[2-[3-(4-methylphenyl)sulfanylpropanoyloxy]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-[3-(4-methylphenyl)sulfanylpropanoyloxy]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[3-(p-tolylsulfanyl)propanoyloxy]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[3-[(4-methylphenyl)thio]-1-oxopropoxy]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[3-(4-methylphenyl)sulfanylpropanoyloxy]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[3-(p-tolylthio)propanoyloxy]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C21H25NO5S/c1-12-6-8-16(9-7-12)28-11-10-17(23)27-15(4)20(24)19-13(2)18(14(3)22-19)21(25)26-5/h6-9,15,22H,10-11H2,1-5H3