ethyl 2,5-dimethyl-4-[2-[2-(2-methylphenyl)sulfanylethanoyloxy]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[2-(2-methylphenyl)sulfanylethanoyloxy]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[2-(o-tolylsulfanyl)acetyl]oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[2-[(2-methylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[2-(2-methylphenyl)sulfanylacetyl]oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[2-(o-tolylthio)acetyl]oxyacetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CSC2=CC=CC=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CSC2=CC=CC=C2C)C)C

InChI

InChI=1S/C20H23NO5S/c1-5-25-20(24)19-14(4)21-13(3)18(19)15(22)10-26-17(23)11-27-16-9-7-6-8-12(16)2/h6-9,21H,5,10-11H2,1-4H3