(2S,3R)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-ethoxyphenyl)-3-oxidanyl-propanenitrile

Systemtic Name: (2S,3R)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-ethoxyphenyl)-3-oxidanyl-propanenitrile Openeye Name: (2S,3R)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-ethoxyphenyl)-3-hydroxy-propanenitrile CAS Name: (2S,3R)-2-(1,3-benzothiazol-2-ylthio)-3-(2-ethoxyphenyl)-3-hydroxypropanenitrile IUPAC Name: (2S,3R)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-ethoxyphenyl)-3-hydroxypropanenitrile Traditional Name: (2S,3R)-2-(1,3-benzothiazol-2-ylthio)-3-hydroxy-3-o-phenetyl-propionitrile Formula: C18H16N2O2S2 MolecularWeight: 356.46184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C(C#N)SC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CCOC1=CC=CC=C1[C@H]([C@H](C#N)SC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C18H16N2O2S2/c1-2-22-14-9-5-3-7-12(14)17(21)16(11-19)24-18-20-13-8-4-6-10-15(13)23-18/h3-10,16-17,21H,2H2,1H3/t16-,17+/m0/s1