1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-methyl-but-2-en-1-one CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-3-methyl-but-2-en-1-one Formula: C17H20N2OS MolecularWeight: 300.4185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2OS/c1-12(2)10-16(20)19-9-5-6-13(11-19)17-18-14-7-3-4-8-15(14)21-17/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3/t13-/m1/s1