S-pyridin-2-yl (3R)-5-(3,4-dimethoxyphenyl)-3-oxidanyl-pentanethioate

Systemtic Name: S-pyridin-2-yl (3R)-5-(3,4-dimethoxyphenyl)-3-oxidanyl-pentanethioate Openeye Name: S-(2-pyridyl) (3R)-5-(3,4-dimethoxyphenyl)-3-hydroxy-pentanethioate CAS Name: (3R)-5-(3,4-dimethoxyphenyl)-3-hydroxypentanethioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl (3R)-5-(3,4-dimethoxyphenyl)-3-hydroxypentanethioate Traditional Name: (3R)-5-(3,4-dimethoxyphenyl)-3-hydroxy-pentanethioic acid S-(2-pyridyl) ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(CC(=O)SC2=CC=CC=N2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[C@H](CC(=O)SC2=CC=CC=N2)O)OC

InChI

InChI=1S/C18H21NO4S/c1-22-15-9-7-13(11-16(15)23-2)6-8-14(20)12-18(21)24-17-5-3-4-10-19-17/h3-5,7,9-11,14,20H,6,8,12H2,1-2H3/t14-/m1/s1