S-tert-butyl (3S)-3-[(2R,3S)-3-oxidanyl-1,4-bis(phenylmethoxy)butan-2-yl]oxy-5-phenyl-pent-4-ynethioate

Systemtic Name: S-tert-butyl (3S)-3-[(2R,3S)-3-oxidanyl-1,4-bis(phenylmethoxy)butan-2-yl]oxy-5-phenyl-pent-4-ynethioate Openeye Name: S-tert-butyl (3S)-3-[(1R,2S)-3-benzyloxy-1-(benzyloxymethyl)-2-hydroxy-propoxy]-5-phenyl-pent-4-ynethioate CAS Name: (3S)-3-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxy-5-phenyl-4-pentynethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (3S)-3-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxy-5-phenylpent-4-ynethioate Traditional Name: (3S)-3-[(1R,2S)-3-benzoxy-1-(benzoxymethyl)-2-hydroxy-propoxy]-5-phenyl-pent-4-ynethioic acid S-tert-butyl ester Formula: C33H38O5S MolecularWeight: 546.71682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(C#CC1=CC=CC=C1)OC(COCC2=CC=CC=C2)C(COCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)SC(=O)C[C@@H](C#CC1=CC=CC=C1)O[C@H](COCC2=CC=CC=C2)[C@H](COCC3=CC=CC=C3)O

InChI

InChI=1S/C33H38O5S/c1-33(2,3)39-32(35)21-29(20-19-26-13-7-4-8-14-26)38-31(25-37-23-28-17-11-6-12-18-28)30(34)24-36-22-27-15-9-5-10-16-27/h4-18,29-31,34H,21-25H2,1-3H3/t29-,30+,31-/m1/s1