S-quinolin-2-yl 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanethioate

Systemtic Name: S-quinolin-2-yl 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanethioate Openeye Name: S-(2-quinolyl) 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethioate CAS Name: 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethioic acid S-(2-quinolinyl) ester IUPAC Name: S-quinolin-2-yl 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethioate Traditional Name: 2-(2-keto-1,3-benzothiazol-3-yl)ethanethioic acid S-(2-quinolyl) ester Formula: C18H12N2O2S2 MolecularWeight: 352.43008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SC(=O)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SC(=O)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C18H12N2O2S2/c21-17(11-20-14-7-3-4-8-15(14)23-18(20)22)24-16-10-9-12-5-1-2-6-13(12)19-16/h1-10H,11H2