2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-4-yl-propanoic acid

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-4-yl-propanoic acid Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-(4-pyridyl)propanoic acid CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-pyridin-4-ylpropanoic acid IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-4-ylpropanoic acid Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-(4-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=CC=NC=C3)C(=O)O

Isomeric SMILES

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

InChI

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