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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CCSC2=CC=C(C=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CCSC2=CC=C(C=C2)C)C)C

InChI

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