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

Systemtic Name: 1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: 1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[2-(2-hydroxyethylthio)ethyl]-2-methyl-5-phenyl-3-pyrrolecarboxylate IUPAC Name: 1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-(2-hydroxyethylthio)ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Formula: C16H18NO3S- MolecularWeight: 304.38402

Click to see the large picture

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)/p-1