2,3-bis(butylsulfonyl)propyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: 2,3-bis(butylsulfonyl)propyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: 2,3-bis(butylsulfonyl)propyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid 2,3-bis(butylsulfonyl)propyl ester IUPAC Name: 2,3-bis(butylsulfonyl)propyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid 2,3-bis(butylsulfonyl)propyl ester Formula: C20H29NO7S3 MolecularWeight: 491.64176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COC(=O)CSC1=NC2=CC=CC=C2O1)S(=O)(=O)CCCC

Isomeric SMILES

CCCCS(=O)(=O)CC(COC(=O)CSC1=NC2=CC=CC=C2O1)S(=O)(=O)CCCC

InChI

InChI=1S/C20H29NO7S3/c1-3-5-11-30(23,24)15-16(31(25,26)12-6-4-2)13-27-19(22)14-29-20-21-17-9-7-8-10-18(17)28-20/h7-10,16H,3-6,11-15H2,1-2H3