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

Systemtic Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] (E)-pent-2-enoate Openeye Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic 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)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-2-3-10-18(23)24-13-17(22)21-11-6-7-14(12-21)19-20-15-8-4-5-9-16(15)25-19/h3-5,8-10,14H,2,6-7,11-13H2,1H3/b10-3+/t14-/m1/s1