(2R)-2-(1,3-benzothiazol-2-yl)-3-cyclohexyl-3-oxidanylidene-propanenitrile

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-cyclohexyl-3-oxidanylidene-propanenitrile Openeye Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-cyclohexyl-3-oxo-propanenitrile CAS Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-cyclohexyl-3-oxopropanenitrile IUPAC Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-cyclohexyl-3-oxopropanenitrile Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-cyclohexyl-3-keto-propionitrile Formula: C16H16N2OS MolecularWeight: 284.37604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(CC1)C(=O)[C@@H](C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H16N2OS/c17-10-12(15(19)11-6-2-1-3-7-11)16-18-13-8-4-5-9-14(13)20-16/h4-5,8-9,11-12H,1-3,6-7H2/t12-/m1/s1