[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-[3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C=CC2=CC=CC3=C2N=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)C(=O)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H23N3O3S/c30-23(17-32-24(31)13-12-19-7-3-6-18-8-4-14-27-25(18)19)29-15-5-9-20(16-29)26-28-21-10-1-2-11-22(21)33-26/h1-4,6-8,10-14,20H,5,9,15-17H2/b13-12+