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

Systemtic Name: propyl 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C13H16NO2S2+ MolecularWeight: 282.40164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16NO2S2/c1-3-8-16-12(15)9-17-13-14(2)10-6-4-5-7-11(10)18-13/h4-7H,3,8-9H2,1-2H3/q+1