tert-butyl 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoate

Systemtic Name: tert-butyl 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoate Openeye Name: tert-butyl 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoate CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylthio)-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylsulfanyl)-3-methylbutanoate Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylthio)-3-methyl-butyric acid tert-butyl ester Formula: C21H30O6S2 MolecularWeight: 442.5893

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C(=O)OC(C)(C)C)C(C)(C)SCCO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C(=O)OC(C)(C)C)C(C)(C)SCCO

InChI

InChI=1S/C21H30O6S2/c1-7-8-14-26-16-9-11-17(12-10-16)29(24,25)18(19(23)27-20(2,3)4)21(5,6)28-15-13-22/h9-12,18,22H,13-15H2,1-6H3