5-tert-butyl-1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-pyrrole-3-carboxylate

Systemtic Name: 5-tert-butyl-1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-pyrrole-3-carboxylate Openeye Name: 5-tert-butyl-1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-pyrrole-3-carboxylate CAS Name: 5-tert-butyl-1-[2-(2-hydroxyethylthio)ethyl]-2-methyl-3-pyrrolecarboxylate IUPAC Name: 5-tert-butyl-1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methylpyrrole-3-carboxylate Traditional Name: 5-tert-butyl-1-[2-(2-hydroxyethylthio)ethyl]-2-methyl-pyrrole-3-carboxylate Formula: C14H22NO3S- MolecularWeight: 284.39438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCSCCO)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(N1CCSCCO)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C14H23NO3S/c1-10-11(13(17)18)9-12(14(2,3)4)15(10)5-7-19-8-6-16/h9,16H,5-8H2,1-4H3,(H,17,18)/p-1