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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO3S2/c1-2-22-13-8-9-15-16(10-13)24-18(19-15)23-11-14(17(20)21)12-6-4-3-5-7-12/h3-10,14H,2,11H2,1H3,(H,20,21)