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

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-3-yl-propanoic acid Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-(3-pyridyl)propanoic acid CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-(3-pyridinyl)propanoic acid IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-3-ylpropanoic acid Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-(3-pyridyl)propionic acid Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S2/c1-3-22-12-6-7-13-14(9-12)23-16(19-13)24-17(2,15(20)21)11-5-4-8-18-10-11/h4-10H,3H2,1-2H3,(H,20,21)