(1S,6S)-6-cyano-3,4-dimethyl-1-oxidanylidene-2,5-dihydrothiopyran-6-carboxylic acid

Systemtic Name: (1S,6S)-6-cyano-3,4-dimethyl-1-oxidanylidene-2,5-dihydrothiopyran-6-carboxylic acid Openeye Name: (1S,6S)-6-cyano-3,4-dimethyl-1-oxo-2,5-dihydrothiopyran-6-carboxylic acid CAS Name: (1S,6S)-6-cyano-3,4-dimethyl-1-oxo-2,5-dihydrothiopyran-6-carboxylic acid IUPAC Name: (1S,6S)-6-cyano-3,4-dimethyl-1-oxo-2,5-dihydrothiopyran-6-carboxylic acid Traditional Name: (1S,6S)-6-cyano-1-keto-3,4-dimethyl-2,5-dihydrothiopyran-6-carboxylic acid Formula: C9H11NO3S MolecularWeight: 213.25354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CS(=O)C(C1)(C#N)C(=O)O)C

Isomeric SMILES

CC1=C(C[S@](=O)[C@@](C1)(C#N)C(=O)O)C

InChI

InChI=1S/C9H11NO3S/c1-6-3-9(5-10,8(11)12)14(13)4-7(6)2/h3-4H2,1-2H3,(H,11,12)/t9-,14-/m0/s1