tert-butyl 2-(2-phenoxyethylcarbamothioylsulfanyl)ethanoate

Systemtic Name: tert-butyl 2-(2-phenoxyethylcarbamothioylsulfanyl)ethanoate Openeye Name: tert-butyl 2-(2-phenoxyethylcarbamothioylsulfanyl)acetate CAS Name: 2-[[(2-phenoxyethylamino)-sulfanylidenemethyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-phenoxyethylcarbamothioylsulfanyl)acetate Traditional Name: 2-(2-phenoxyethylthiocarbamoylthio)acetic acid tert-butyl ester Formula: C15H21NO3S2 MolecularWeight: 327.46214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC(=S)NCCOC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CSC(=S)NCCOC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S2/c1-15(2,3)19-13(17)11-21-14(20)16-9-10-18-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,20)