S-tert-butyl (2R,3S)-6-methyl-3-oxidanyl-2-phenylmethoxy-hept-4-ynethioate

Systemtic Name: S-tert-butyl (2R,3S)-6-methyl-3-oxidanyl-2-phenylmethoxy-hept-4-ynethioate Openeye Name: S-tert-butyl (2R,3S)-2-benzyloxy-3-hydroxy-6-methyl-hept-4-ynethioate CAS Name: (2R,3S)-3-hydroxy-6-methyl-2-phenylmethoxy-4-heptynethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2R,3S)-3-hydroxy-6-methyl-2-phenylmethoxyhept-4-ynethioate Traditional Name: (2R,3S)-2-benzoxy-3-hydroxy-6-methyl-hept-4-ynethioic acid S-tert-butyl ester Formula: C19H26O3S MolecularWeight: 334.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC(C(C(=O)SC(C)(C)C)OCC1=CC=CC=C1)O

Isomeric SMILES

CC(C)C#C[C@@H]([C@H](C(=O)SC(C)(C)C)OCC1=CC=CC=C1)O

InChI

InChI=1S/C19H26O3S/c1-14(2)11-12-16(20)17(18(21)23-19(3,4)5)22-13-15-9-7-6-8-10-15/h6-10,14,16-17,20H,13H2,1-5H3/t16-,17+/m0/s1