3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2,2-di(propan-2-yl)-4-sulfanyl-butanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2,2-di(propan-2-yl)-4-sulfanyl-butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-2,2-diisopropyl-4-oxo-4-sulfanyl-butanoic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-4-mercapto-4-oxo-2,2-di(propan-2-yl)butanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4-oxo-2,2-di(propan-2-yl)-4-sulfanylbutanoic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,2-diisopropyl-4-keto-4-mercapto-butyric acid Formula: C17H21NO3S2 MolecularWeight: 351.48354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)(C(C1=NC2=CC=CC=C2S1)C(=O)S)C(=O)O

Isomeric SMILES

CC(C)C(C(C)C)(C(C1=NC2=CC=CC=C2S1)C(=O)S)C(=O)O

InChI

InChI=1S/C17H21NO3S2/c1-9(2)17(10(3)4,16(20)21)13(15(19)22)14-18-11-7-5-6-8-12(11)23-14/h5-10,13H,1-4H3,(H,19,22)(H,20,21)