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

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]pentanoic acid IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]valeric acid Formula: C14H17NO3S2 MolecularWeight: 311.41968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=NC2=C(S1)C=C(C=C2)OCC

Isomeric SMILES

CCCC(C(=O)O)SC1=NC2=C(S1)C=C(C=C2)OCC

InChI

InChI=1S/C14H17NO3S2/c1-3-5-11(13(16)17)19-14-15-10-7-6-9(18-4-2)8-12(10)20-14/h6-8,11H,3-5H2,1-2H3,(H,16,17)