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sodium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxy-pentanoate

sodium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxy-pentanoate

Systemtic Name:sodium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxy-pentanoate
Openeye Name:sodium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxy-pentanoate
CAS Name:sodium 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-carboxypentanoate
IUPAC Name:sodium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxypentanoate
Traditional Name:sodium 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-carboxy-valerate
Formula: C14H14NNaO4S2
MolecularWeight: 347.38503
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-])C(=O)O.[Na+]


Isomeric SMILES

CCC(C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-])C(=O)O.[Na+]


InChI

InChI=1S/C14H15NO4S2.Na/c1-2-8(12(16)17)9(13(18)19)7-20-14-15-10-5-3-4-6-11(10)21-14;/h3-6,8-9H,2,7H2,1H3,(H,16,17)(H,18,19);/q;+1/p-1


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