potassium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxy-hexanoate

Systemtic Name: potassium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxy-hexanoate Openeye Name: potassium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxy-hexanoate CAS Name: potassium 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-carboxyhexanoate IUPAC Name: potassium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxyhexanoate Traditional Name: potassium 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-carboxy-hexanoate Formula: C15H16KNO4S2 MolecularWeight: 377.52014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-])C(=O)O.[K+]

Isomeric SMILES

CCCC(C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-])C(=O)O.[K+]

InChI

InChI=1S/C15H17NO4S2.K/c1-2-5-9(13(17)18)10(14(19)20)8-21-15-16-11-6-3-4-7-12(11)22-15;/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,17,18)(H,19,20);/q;+1/p-1