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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(3-phenylsulfanylpropanoyloxy)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(3-phenylsulfanylpropanoyloxy)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[1-oxo-3-(phenylthio)propoxy]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(3-phenylsulfanylpropanoyloxy)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[3-(phenylthio)propanoyloxy]acetyl]-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)CCSC2=CC=CC=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-4-25-20(24)19-14(3)21-13(2)18(19)16(22)12-26-17(23)10-11-27-15-8-6-5-7-9-15/h5-9,21H,4,10-12H2,1-3H3