(E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-(2-keto-2-piperidino-ethoxy)phenyl]but-3-enoate Formula: C26H27N2O5S- MolecularWeight: 479.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)OCC(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2)OCC(=O)N4CCCCC4

InChI

InChI=1S/C26H28N2O5S/c1-2-32-22-15-18(10-11-21(22)33-17-24(29)28-12-6-3-7-13-28)14-19(16-25(30)31)26-27-20-8-4-5-9-23(20)34-26/h4-5,8-11,14-15H,2-3,6-7,12-13,16-17H2,1H3,(H,30,31)/p-1/b19-14+