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

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-3-yl-ethanoic acid Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-(3-pyridyl)acetic acid CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-(3-pyridinyl)acetic acid IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-pyridin-3-ylacetic acid Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-(3-pyridyl)acetic acid Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S2/c1-2-21-11-5-6-12-13(8-11)22-16(18-12)23-14(15(19)20)10-4-3-7-17-9-10/h3-9,14H,2H2,1H3,(H,19,20)