1-ethyl-4,5-bis(phenylsulfanyl)pyrrole-2-carboxylic acid

Systemtic Name: 1-ethyl-4,5-bis(phenylsulfanyl)pyrrole-2-carboxylic acid Openeye Name: 1-ethyl-4,5-bis(phenylsulfanyl)pyrrole-2-carboxylic acid CAS Name: 1-ethyl-4,5-bis(phenylthio)-2-pyrrolecarboxylic acid IUPAC Name: 1-ethyl-4,5-bis(phenylsulfanyl)pyrrole-2-carboxylic acid Traditional Name: 1-ethyl-4,5-bis(phenylthio)pyrrole-2-carboxylic acid Formula: C19H17NO2S2 MolecularWeight: 355.47378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1SC2=CC=CC=C2)SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN1C(=CC(=C1SC2=CC=CC=C2)SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H17NO2S2/c1-2-20-16(19(21)22)13-17(23-14-9-5-3-6-10-14)18(20)24-15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,22)