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

Systemtic Name: (2R)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-propanoic acid Openeye Name: (2R)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-propanoic acid CAS Name: (2R)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-phenylpropanoic acid IUPAC Name: (2R)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylpropanoic acid Traditional Name: (2R)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-phenyl-propionic acid Formula: C18H17NO3S2 MolecularWeight: 359.46248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SC(C)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)S[C@](C)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17NO3S2/c1-3-22-13-9-10-14-15(11-13)23-17(19-14)24-18(2,16(20)21)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,20,21)/t18-/m1/s1