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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSCCO)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSCCO)C)C

InChI

InChI=1S/C13H19NO4S/c1-4-18-13(17)12-9(3)14-8(2)11(12)10(16)7-19-6-5-15/h14-15H,4-7H2,1-3H3