(E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]but-2-en-1-one

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]but-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]but-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-buten-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]but-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperidino]but-2-en-1-one Formula: C16H18N2OS MolecularWeight: 286.39192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C/C=C/C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H18N2OS/c1-2-5-15(19)18-10-8-12(9-11-18)16-17-13-6-3-4-7-14(13)20-16/h2-7,12H,8-11H2,1H3/b5-2+