4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethoxy]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethoxy]-3-chloranyl-benzenecarbonitrile Openeye Name: 4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethoxy]-3-chloro-benzonitrile CAS Name: 4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethoxy]-3-chlorobenzonitrile IUPAC Name: 4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethoxy]-3-chlorobenzonitrile Traditional Name: 4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethoxy]-3-chloro-benzonitrile Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O2S/c22-16-10-14(11-23)7-8-18(16)27-13-20(26)25-9-3-4-15(12-25)21-24-17-5-1-2-6-19(17)28-21/h1-2,5-8,10,15H,3-4,9,12-13H2/t15-/m0/s1