ethyl 2,5-dimethyl-4-[2-[(2S)-2-phenylsulfanylpropanoyl]oxyethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[(2S)-2-phenylsulfanylpropanoyl]oxyethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[(2S)-2-phenylsulfanylpropanoyl]oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[(2S)-1-oxo-2-(phenylthio)propoxy]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[(2S)-2-phenylsulfanylpropanoyl]oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(2S)-2-(phenylthio)propanoyl]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)C(C)SC2=CC=CC=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)[C@H](C)SC2=CC=CC=C2)C)C

InChI

InChI=1S/C20H23NO5S/c1-5-25-20(24)18-13(3)21-12(2)17(18)16(22)11-26-19(23)14(4)27-15-9-7-6-8-10-15/h6-10,14,21H,5,11H2,1-4H3/t14-/m0/s1