ethyl 1-(2-oxidanyl-3-phenylsulfanyl-propyl)-4-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-(2-oxidanyl-3-phenylsulfanyl-propyl)-4-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-(2-hydroxy-3-phenylsulfanyl-propyl)-4-phenyl-pyrrole-3-carboxylate CAS Name: 1-[2-hydroxy-3-(phenylthio)propyl]-4-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-hydroxy-3-phenylsulfanylpropyl)-4-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-hydroxy-3-(phenylthio)propyl]-4-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1C2=CC=CC=C2)CC(CSC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CN(C=C1C2=CC=CC=C2)CC(CSC3=CC=CC=C3)O

InChI

InChI=1S/C22H23NO3S/c1-2-26-22(25)21-15-23(14-20(21)17-9-5-3-6-10-17)13-18(24)16-27-19-11-7-4-8-12-19/h3-12,14-15,18,24H,2,13,16H2,1H3