3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethoxy]benzonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O2S/c22-12-15-5-3-7-17(11-15)26-14-20(25)24-10-4-6-16(13-24)21-23-18-8-1-2-9-19(18)27-21/h1-3,5,7-9,11,16H,4,6,10,13-14H2/t16-/m0/s1