(2S)-2-(1,3-benzothiazol-2-yl)-5-(5-ethylfuran-2-yl)-3-oxidanylidene-pentanenitrile

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-yl)-5-(5-ethylfuran-2-yl)-3-oxidanylidene-pentanenitrile Openeye Name: (2S)-2-(1,3-benzothiazol-2-yl)-5-(5-ethyl-2-furyl)-3-oxo-pentanenitrile CAS Name: (2S)-2-(1,3-benzothiazol-2-yl)-5-(5-ethyl-2-furanyl)-3-oxopentanenitrile IUPAC Name: (2S)-2-(1,3-benzothiazol-2-yl)-5-(5-ethylfuran-2-yl)-3-oxopentanenitrile Traditional Name: (2S)-2-(1,3-benzothiazol-2-yl)-5-(5-ethyl-2-furyl)-3-keto-valeronitrile Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)CCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(O1)CCC(=O)[C@H](C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O2S/c1-2-12-7-8-13(22-12)9-10-16(21)14(11-19)18-20-15-5-3-4-6-17(15)23-18/h3-8,14H,2,9-10H2,1H3/t14-/m0/s1