1,3-bis(butylsulfinyl)propan-2-yl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: 1,3-bis(butylsulfinyl)propan-2-yl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-butylsulfinyl-1-(butylsulfinylmethyl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid 1,3-bis(butylsulfinyl)propan-2-yl ester IUPAC Name: 1,3-bis(butylsulfinyl)propan-2-yl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-butylsulfinyl-1-(butylsulfinylmethyl)ethyl] ester Formula: C20H29NO5S3 MolecularWeight: 459.64296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(CS(=O)CCCC)OC(=O)CSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCCCS(=O)CC(CS(=O)CCCC)OC(=O)CSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C20H29NO5S3/c1-3-5-11-28(23)14-16(15-29(24)12-6-4-2)25-19(22)13-27-20-21-17-9-7-8-10-18(17)26-20/h7-10,16H,3-6,11-15H2,1-2H3