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pentyl 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate

pentyl 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate

Systemtic Name:pentyl 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate
Openeye Name:pentyl 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate
CAS Name:2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid pentyl ester
IUPAC Name:pentyl 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate
Traditional Name:2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid amyl ester
Formula: C15H20NO2S2+
MolecularWeight: 310.4548
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CSC1=[N+](C2=CC=CC=C2S1)C


Isomeric SMILES

CCCCCOC(=O)CSC1=[N+](C2=CC=CC=C2S1)C


InChI

InChI=1S/C15H20NO2S2/c1-3-4-7-10-18-14(17)11-19-15-16(2)12-8-5-6-9-13(12)20-15/h5-6,8-9H,3-4,7,10-11H2,1-2H3/q+1


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