2-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[2-(1,3-benzothiazol-2-ylthio)-4-methyl-5-thiazolyl]acetate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazol-2-ylthio)-4-methyl-thiazol-5-yl]acetate Formula: C13H9N2O2S3- MolecularWeight: 321.41776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=NC3=CC=CC=C3S2)CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)SC2=NC3=CC=CC=C3S2)CC(=O)[O-]

InChI

InChI=1S/C13H10N2O2S3/c1-7-10(6-11(16)17)19-12(14-7)20-13-15-8-4-2-3-5-9(8)18-13/h2-5H,6H2,1H3,(H,16,17)/p-1