2-[(6-oxidanyl-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-propanoic acid

Systemtic Name: 2-[(6-oxidanyl-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-propanoic acid Openeye Name: 2-[(6-hydroxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-propanoic acid CAS Name: 2-[(6-hydroxy-1,3-benzothiazol-2-yl)thio]-2-phenylpropanoic acid IUPAC Name: 2-[(6-hydroxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylpropanoic acid Traditional Name: 2-[(6-hydroxy-1,3-benzothiazol-2-yl)thio]-2-phenyl-propionic acid Formula: C16H13NO3S2 MolecularWeight: 331.40932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)O)SC2=NC3=C(S2)C=C(C=C3)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C(=O)O)SC2=NC3=C(S2)C=C(C=C3)O

InChI

InChI=1S/C16H13NO3S2/c1-16(14(19)20,10-5-3-2-4-6-10)22-15-17-12-8-7-11(18)9-13(12)21-15/h2-9,18H,1H3,(H,19,20)