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

Systemtic Name: 4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethoxy]-3-ethoxy-benzenecarbonitrile Openeye Name: 4-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethoxy]-3-ethoxy-benzonitrile CAS Name: 4-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethoxy]-3-ethoxybenzonitrile IUPAC Name: 4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethoxy]-3-ethoxybenzonitrile Traditional Name: 4-[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethoxy]-3-ethoxy-benzonitrile Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H23N3O3S/c1-2-28-20-13-16(14-24)7-8-19(20)29-15-22(27)26-11-9-17(10-12-26)23-25-18-5-3-4-6-21(18)30-23/h3-8,13,17H,2,9-12,15H2,1H3