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

Systemtic Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethoxy]-3-methoxybenzonitrile IUPAC Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethoxy]-3-methoxy-benzonitrile Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S/c1-27-19-11-15(12-23)8-9-18(19)28-14-21(26)25-10-4-5-16(13-25)22-24-17-6-2-3-7-20(17)29-22/h2-3,6-9,11,16H,4-5,10,13-14H2,1H3/t16-/m1/s1