tert-butyl 2,5-bis(butylsulfanyl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2,5-bis(butylsulfanyl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2,5-bis(butylsulfanyl)pyrrole-1-carboxylate CAS Name: 2,5-bis(butylthio)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,5-bis(butylsulfanyl)pyrrole-1-carboxylate Traditional Name: 2,5-bis(butylthio)pyrrole-1-carboxylic acid tert-butyl ester Formula: C17H29NO2S2 MolecularWeight: 343.54766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(N1C(=O)OC(C)(C)C)SCCCC

Isomeric SMILES

CCCCSC1=CC=C(N1C(=O)OC(C)(C)C)SCCCC

InChI

InChI=1S/C17H29NO2S2/c1-6-8-12-21-14-10-11-15(22-13-9-7-2)18(14)16(19)20-17(3,4)5/h10-11H,6-9,12-13H2,1-5H3