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

Systemtic Name: 1,3-bis(butylsulfanyl)propan-2-yl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-butylsulfanyl-1-(butylsulfanylmethyl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid 1,3-bis(butylthio)propan-2-yl ester IUPAC Name: 1,3-bis(butylsulfanyl)propan-2-yl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(butylthio)-1-[(butylthio)methyl]ethyl] ester Formula: C20H29NO3S3 MolecularWeight: 427.64416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(CSCCCC)OC(=O)CSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCCCSCC(CSCCCC)OC(=O)CSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C20H29NO3S3/c1-3-5-11-25-13-16(14-26-12-6-4-2)23-19(22)15-27-20-21-17-9-7-8-10-18(17)24-20/h7-10,16H,3-6,11-15H2,1-2H3