3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1-methoxyethyl)-3-methyl-butanoate

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1-methoxyethyl)-3-methyl-butanoate Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1-methoxyethyl)-3-methyl-butanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)-2-(1-methoxyethyl)-3-methylbutanoate IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1-methoxyethyl)-3-methylbutanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-2-(1-methoxyethyl)-3-methyl-butyrate Formula: C15H18NO3S2- MolecularWeight: 324.43832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])C(C)(C)SC1=NC2=CC=CC=C2S1)OC

Isomeric SMILES

CC(C(C(=O)[O-])C(C)(C)SC1=NC2=CC=CC=C2S1)OC

InChI

InChI=1S/C15H19NO3S2/c1-9(19-4)12(13(17)18)15(2,3)21-14-16-10-7-5-6-8-11(10)20-14/h5-9,12H,1-4H3,(H,17,18)/p-1