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

Systemtic Name: methyl 5-[2-[2-(2,5-dimethylphenyl)sulfanylethanoyloxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[2-(2,5-dimethylphenyl)sulfanylacetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[2-[(2,5-dimethylphenyl)thio]-1-oxoethoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[2-(2,5-dimethylphenyl)sulfanylacetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[2-[(2,5-dimethylphenyl)thio]acetyl]oxypropanoyl]-2,4-dimethyl-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)C)SCC(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-11-7-8-12(2)16(9-11)28-10-17(23)27-15(5)20(24)19-13(3)18(14(4)22-19)21(25)26-6/h7-9,15,22H,10H2,1-6H3