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

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-5-(phenylsulfonyl)pentanenitrile Openeye Name: (2S)-5-(benzenesulfonyl)-2-(1,3-benzothiazol-2-yl)-3-oxo-pentanenitrile CAS Name: (2S)-5-(benzenesulfonyl)-2-(1,3-benzothiazol-2-yl)-3-oxopentanenitrile IUPAC Name: (2S)-5-(benzenesulfonyl)-2-(1,3-benzothiazol-2-yl)-3-oxopentanenitrile Traditional Name: (2S)-2-(1,3-benzothiazol-2-yl)-5-besyl-3-keto-valeronitrile Formula: C18H14N2O3S2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)[C@H](C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H14N2O3S2/c19-12-14(18-20-15-8-4-5-9-17(15)24-18)16(21)10-11-25(22,23)13-6-2-1-3-7-13/h1-9,14H,10-11H2/t14-/m0/s1