methyl 5-[2-(2-hydroxyethylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-(2-hydroxyethylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(2-hydroxyethylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(2-hydroxyethylthio)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(2-hydroxyethylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(2-hydroxyethylthio)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SCCO

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SCCO

InChI

InChI=1S/C13H19NO4S/c1-7-10(13(17)18-4)8(2)14-11(7)12(16)9(3)19-6-5-15/h9,14-15H,5-6H2,1-4H3