2-(1,3-benzothiazol-2-yl)-2-methanoyl-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-methanoyl-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-formyl-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-formyl-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-formyl-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-formyl-3-keto-propionitrile Formula: C11H6N2O2S MolecularWeight: 230.24254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6N2O2S/c12-5-11(6-14,7-15)10-13-8-3-1-2-4-9(8)16-10/h1-4,6-7H