[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)N1CCCC(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C/C=C/C(=O)OCC(=O)N1CCC[C@H](C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H20N2O3S/c1-2-6-17(22)23-12-16(21)20-10-5-7-13(11-20)18-19-14-8-3-4-9-15(14)24-18/h2-4,6,8-9,13H,5,7,10-12H2,1H3/b6-2+/t13-/m1/s1