4,4-dimethyl-2-(5-oxidanyl-1,3-benzoxathiol-2-ylidene)-3-oxidanylidene-pentanenitrile

Systemtic Name: 4,4-dimethyl-2-(5-oxidanyl-1,3-benzoxathiol-2-ylidene)-3-oxidanylidene-pentanenitrile Openeye Name: 2-(5-hydroxy-1,3-benzoxathiol-2-ylidene)-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 2-(5-hydroxy-1,3-benzoxathiol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: 2-(5-hydroxy-1,3-benzoxathiol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile Traditional Name: 2-(5-hydroxy-1,3-benzoxathiol-2-ylidene)-3-keto-4,4-dimethyl-valeronitrile Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=C1OC2=C(S1)C=C(C=C2)O)C#N

Isomeric SMILES

CC(C)(C)C(=O)C(=C1OC2=C(S1)C=C(C=C2)O)C#N

InChI

InChI=1S/C14H13NO3S/c1-14(2,3)12(17)9(7-15)13-18-10-5-4-8(16)6-11(10)19-13/h4-6,16H,1-3H3