1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid Openeye Name: 1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid CAS Name: 1-[2-(2-hydroxyethylthio)ethyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid Traditional Name: 1-[2-(2-hydroxyethylthio)ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCSCCO)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCSCCO)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H19NO3S/c1-12-14(16(19)20)11-15(13-5-3-2-4-6-13)17(12)7-9-21-10-8-18/h2-6,11,18H,7-10H2,1H3,(H,19,20)