[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(1H-pyrrol-2-yl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(1H-pyrrol-2-yl)methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(1H-pyrrol-2-yl)methanone Formula: C17H17N3OS MolecularWeight: 311.40138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CN2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CN2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H17N3OS/c21-17(14-7-3-9-18-14)20-10-4-5-12(11-20)16-19-13-6-1-2-8-15(13)22-16/h1-3,6-9,12,18H,4-5,10-11H2/t12-/m0/s1