1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-(4-pyridylthio)ethanone Formula: C18H17N3OS2 MolecularWeight: 355.47708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=CC=NC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CSC2=CC=NC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N3OS2/c22-17(12-23-13-7-9-19-10-8-13)21-11-3-5-15(21)18-20-14-4-1-2-6-16(14)24-18/h1-2,4,6-10,15H,3,5,11-12H2/t15-/m1/s1