2-azanyl-1-[(2S)-2-(1,3-benzothiazol-2-ylcarbonyl)azetidin-1-yl]-3-methyl-pentan-1-one

Systemtic Name: 2-azanyl-1-[(2S)-2-(1,3-benzothiazol-2-ylcarbonyl)azetidin-1-yl]-3-methyl-pentan-1-one Openeye Name: 2-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)azetidin-1-yl]-3-methyl-pentan-1-one CAS Name: 2-amino-1-[(2S)-2-[1,3-benzothiazol-2-yl(oxo)methyl]-1-azetidinyl]-3-methyl-1-pentanone IUPAC Name: 2-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)azetidin-1-yl]-3-methylpentan-1-one Traditional Name: 2-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)azetidin-1-yl]-3-methyl-pentan-1-one Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCC1C(=O)C2=NC3=CC=CC=C3S2)N

Isomeric SMILES

CCC(C)C(C(=O)N1CC[C@H]1C(=O)C2=NC3=CC=CC=C3S2)N

InChI

InChI=1S/C17H21N3O2S/c1-3-10(2)14(18)17(22)20-9-8-12(20)15(21)16-19-11-6-4-5-7-13(11)23-16/h4-7,10,12,14H,3,8-9,18H2,1-2H3/t10?,12-,14?/m0/s1