(E)-5-(1,3-benzothiazol-2-yl)-6-(4-piperidin-1-ylphenyl)hex-5-enoate

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-piperidin-1-ylphenyl)hex-5-enoate Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-[4-(1-piperidyl)phenyl]hex-5-enoate CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-[4-(1-piperidinyl)phenyl]-5-hexenoate IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-piperidin-1-ylphenyl)hex-5-enoate Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(4-piperidinophenyl)hex-5-enoate Formula: C24H25N2O2S- MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C=C(CCCC(=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)/C=C(\CCCC(=O)[O-])/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H26N2O2S/c27-23(28)10-6-7-19(24-25-21-8-2-3-9-22(21)29-24)17-18-11-13-20(14-12-18)26-15-4-1-5-16-26/h2-3,8-9,11-14,17H,1,4-7,10,15-16H2,(H,27,28)/p-1/b19-17+