2-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)thio]-2-phenylacetic acid IUPAC Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetic acid Traditional Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)thio]-2-phenyl-acetic acid Formula: C16H13NO3S2 MolecularWeight: 331.40932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=CC=C3)C(=O)O

InChI

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