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2-[(5-carboxy-1,3-benzothiazol-2-yl)sulfanyl]pentanoate

2-[(5-carboxy-1,3-benzothiazol-2-yl)sulfanyl]pentanoate

Systemtic Name:2-[(5-carboxy-1,3-benzothiazol-2-yl)sulfanyl]pentanoate
Openeye Name:2-[(5-carboxy-1,3-benzothiazol-2-yl)sulfanyl]pentanoate
CAS Name:2-[(5-carboxy-1,3-benzothiazol-2-yl)thio]pentanoate
IUPAC Name:2-[(5-carboxy-1,3-benzothiazol-2-yl)sulfanyl]pentanoate
Traditional Name:2-[(5-carboxy-1,3-benzothiazol-2-yl)thio]valerate
Formula: C13H12NO4S2-
MolecularWeight: 310.36868
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])SC1=NC2=C(S1)C=CC(=C2)C(=O)O


Isomeric SMILES

CCCC(C(=O)[O-])SC1=NC2=C(S1)C=CC(=C2)C(=O)O


InChI

InChI=1S/C13H13NO4S2/c1-2-3-10(12(17)18)20-13-14-8-6-7(11(15)16)4-5-9(8)19-13/h4-6,10H,2-3H2,1H3,(H,15,16)(H,17,18)/p-1


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