(2S)-4-methyl-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)pentanoate

Systemtic Name: (2S)-4-methyl-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)pentanoate Openeye Name: (2S)-4-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoate CAS Name: (2S)-4-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoate IUPAC Name: (2S)-4-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoate Traditional Name: (2S)-2-(3-keto-1,2-benzothiazol-2-yl)-4-methyl-valerate Formula: C13H14NO3S- MolecularWeight: 264.32016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])N1C(=O)C2=CC=CC=C2S1

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])N1C(=O)C2=CC=CC=C2S1

InChI

InChI=1S/C13H15NO3S/c1-8(2)7-10(13(16)17)14-12(15)9-5-3-4-6-11(9)18-14/h3-6,8,10H,7H2,1-2H3,(H,16,17)/p-1/t10-/m0/s1