5,5-dimethyl-2-oxidanylidene-4H-1,3,2$l^{4}-benzodioxathiepine-7-carbonitrile

Systemtic Name: 5,5-dimethyl-2-oxidanylidene-4H-1,3,2$l^{4}-benzodioxathiepine-7-carbonitrile Openeye Name: 5,5-dimethyl-2-oxo-4H-1,3,2$l^{4}-benzodioxathiepine-7-carbonitrile CAS Name: 5,5-dimethyl-2-oxo-4H-1,3,2$l^{4}-benzodioxathiepin-7-carbonitrile IUPAC Name: 5,5-dimethyl-2-oxo-4H-1,3,2$l^{4}-benzodioxathiepine-7-carbonitrile Traditional Name: 2-keto-5,5-dimethyl-4H-1,3,2$l^{4}-benzodioxathiepin-7-carbonitrile Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COS(=O)OC2=C1C=C(C=C2)C#N)C

Isomeric SMILES

CC1(COS(=O)OC2=C1C=C(C=C2)C#N)C

InChI

InChI=1S/C11H11NO3S/c1-11(2)7-14-16(13)15-10-4-3-8(6-12)5-9(10)11/h3-5H,7H2,1-2H3