methyl 2,4-dimethyl-5-[(2S)-2-[2-(2-oxidanylidenepropylsulfanyl)phenyl]carbonyloxypropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-[2-(2-oxidanylidenepropylsulfanyl)phenyl]carbonyloxypropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(2-acetonylsulfanylbenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-[oxo-[2-(2-oxopropylthio)phenyl]methoxy]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-[2-(2-oxopropylsulfanyl)benzoyl]oxypropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[2-(acetonylthio)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2=CC=CC=C2SCC(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC(=O)C2=CC=CC=C2SCC(=O)C

InChI

InChI=1S/C21H23NO6S/c1-11(23)10-29-16-9-7-6-8-15(16)20(25)28-14(4)19(24)18-12(2)17(13(3)22-18)21(26)27-5/h6-9,14,22H,10H2,1-5H3/t14-/m0/s1