ethyl (2R)-3-[2-(1,3-benzothiazol-2-yl)ethylimino]-2-cyano-propanoate

Systemtic Name: ethyl (2R)-3-[2-(1,3-benzothiazol-2-yl)ethylimino]-2-cyano-propanoate Openeye Name: ethyl (2R)-3-[2-(1,3-benzothiazol-2-yl)ethylimino]-2-cyano-propanoate CAS Name: (2R)-3-[2-(1,3-benzothiazol-2-yl)ethylimino]-2-cyanopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-[2-(1,3-benzothiazol-2-yl)ethylimino]-2-cyanopropanoate Traditional Name: (2R)-3-[2-(1,3-benzothiazol-2-yl)ethylimino]-2-cyano-propionic acid ethyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCCC1=NC2=CC=CC=C2S1)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=NCCC1=NC2=CC=CC=C2S1)C#N

InChI

InChI=1S/C15H15N3O2S/c1-2-20-15(19)11(9-16)10-17-8-7-14-18-12-5-3-4-6-13(12)21-14/h3-6,10-11H,2,7-8H2,1H3/t11-/m0/s1