2-[4,5-di(propan-2-yl)-1,3-benzothiazol-2-yl]-3-oxidanylidene-3-sulfanyl-propanoic acid

Systemtic Name: 2-[4,5-di(propan-2-yl)-1,3-benzothiazol-2-yl]-3-oxidanylidene-3-sulfanyl-propanoic acid Openeye Name: 2-(4,5-diisopropyl-1,3-benzothiazol-2-yl)-3-oxo-3-sulfanyl-propanoic acid CAS Name: 2-[4,5-di(propan-2-yl)-1,3-benzothiazol-2-yl]-3-mercapto-3-oxopropanoic acid IUPAC Name: 2-[4,5-di(propan-2-yl)-1,3-benzothiazol-2-yl]-3-oxo-3-sulfanylpropanoic acid Traditional Name: 2-(4,5-diisopropyl-1,3-benzothiazol-2-yl)-3-keto-3-mercapto-propionic acid Formula: C16H19NO3S2 MolecularWeight: 337.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=C(C=C1)SC(=N2)C(C(=O)O)C(=O)S)C(C)C

Isomeric SMILES

CC(C)C1=C(C2=C(C=C1)SC(=N2)C(C(=O)O)C(=O)S)C(C)C

InChI

InChI=1S/C16H19NO3S2/c1-7(2)9-5-6-10-13(11(9)8(3)4)17-14(22-10)12(15(18)19)16(20)21/h5-8,12H,1-4H3,(H,18,19)(H,20,21)