3-[2-(2-cyanoethyl)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]propanenitrile

Systemtic Name: 3-[2-(2-cyanoethyl)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]propanenitrile Openeye Name: 3-[2-(2-cyanoethyl)-3-oxo-4H-1,4-benzothiazin-2-yl]propanenitrile CAS Name: 3-[2-(2-cyanoethyl)-3-oxo-4H-1,4-benzothiazin-2-yl]propanenitrile IUPAC Name: 3-[2-(2-cyanoethyl)-3-oxo-4H-1,4-benzothiazin-2-yl]propanenitrile Traditional Name: 3-[2-(2-cyanoethyl)-3-keto-4H-1,4-benzothiazin-2-yl]propionitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3OS/c15-9-3-7-14(8-4-10-16)13(18)17-11-5-1-2-6-12(11)19-14/h1-2,5-6H,3-4,7-8H2,(H,17,18)