S-ethyl (2S,3R)-5-(1,3-dithian-2-yl)-3-oxidanyl-2-(phenylmethyl)pentanethioate

Systemtic Name: S-ethyl (2S,3R)-5-(1,3-dithian-2-yl)-3-oxidanyl-2-(phenylmethyl)pentanethioate Openeye Name: S-ethyl (2S,3R)-2-benzyl-5-(1,3-dithian-2-yl)-3-hydroxy-pentanethioate CAS Name: (2S,3R)-5-(1,3-dithian-2-yl)-3-hydroxy-2-(phenylmethyl)pentanethioic acid S-ethyl ester IUPAC Name: S-ethyl (2S,3R)-2-benzyl-5-(1,3-dithian-2-yl)-3-hydroxypentanethioate Traditional Name: (2S,3R)-2-benzyl-5-(1,3-dithian-2-yl)-3-hydroxy-pentanethioic acid S-ethyl ester Formula: C18H26O2S3 MolecularWeight: 370.59284

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(CC1=CC=CC=C1)C(CCC2SCCCS2)O

Isomeric SMILES

CCSC(=O)[C@@H](CC1=CC=CC=C1)[C@@H](CCC2SCCCS2)O

InChI

InChI=1S/C18H26O2S3/c1-2-21-18(20)15(13-14-7-4-3-5-8-14)16(19)9-10-17-22-11-6-12-23-17/h3-5,7-8,15-17,19H,2,6,9-13H2,1H3/t15-,16+/m0/s1