[(3R,4R)-4-azanyl-1-(1,3-benzothiazol-6-ylcarbonyl)pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3R,4R)-4-azanyl-1-(1,3-benzothiazol-6-ylcarbonyl)pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3R,4R)-4-amino-1-(1,3-benzothiazole-6-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3R,4R)-4-amino-1-[1,3-benzothiazol-6-yl(oxo)methyl]-3-pyrrolidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3R,4R)-4-amino-1-(1,3-benzothiazole-6-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3R,4R)-4-amino-1-(1,3-benzothiazole-6-carbonyl)pyrrolidin-3-yl]-pyrrolidino-methanone Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CN(CC2N)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CN(C[C@@H]2N)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C17H20N4O2S/c18-13-9-21(8-12(13)17(23)20-5-1-2-6-20)16(22)11-3-4-14-15(7-11)24-10-19-14/h3-4,7,10,12-13H,1-2,5-6,8-9,18H2/t12-,13+/m1/s1