(2S)-2-(1,3-benzothiazol-2-yl)-4-chloranyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-chloranyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-butanenitrile CAS Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxobutanenitrile IUPAC Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxobutanenitrile Traditional Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-chloro-3-keto-butyronitrile Formula: C11H7ClN2OS MolecularWeight: 250.70408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)CCl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[C@@H](C#N)C(=O)CCl

InChI

InChI=1S/C11H7ClN2OS/c12-5-9(15)7(6-13)11-14-8-3-1-2-4-10(8)16-11/h1-4,7H,5H2/t7-/m0/s1