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

Systemtic Name: 2-[(6-butoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-[(6-butoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(6-butoxy-1,3-benzothiazol-2-yl)thio]-2-phenylacetic acid IUPAC Name: 2-[(6-butoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetic acid Traditional Name: 2-[(6-butoxy-1,3-benzothiazol-2-yl)thio]-2-phenyl-acetic acid Formula: C19H19NO3S2 MolecularWeight: 373.48906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H19NO3S2/c1-2-3-11-23-14-9-10-15-16(12-14)24-19(20-15)25-17(18(21)22)13-7-5-4-6-8-13/h4-10,12,17H,2-3,11H2,1H3,(H,21,22)