2,3-bis(butylsulfanyl)propyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: 2,3-bis(butylsulfanyl)propyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: 2,3-bis(butylsulfanyl)propyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid 2,3-bis(butylthio)propyl ester IUPAC Name: 2,3-bis(butylsulfanyl)propyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid 2,3-bis(butylthio)propyl ester Formula: C20H29NO2S4 MolecularWeight: 443.70976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COC(=O)CSC1=NC2=CC=CC=C2S1)SCCCC

Isomeric SMILES

CCCCSCC(COC(=O)CSC1=NC2=CC=CC=C2S1)SCCCC

InChI

InChI=1S/C20H29NO2S4/c1-3-5-11-24-14-16(25-12-6-4-2)13-23-19(22)15-26-20-21-17-9-7-8-10-18(17)27-20/h7-10,16H,3-6,11-15H2,1-2H3