3-(1,3-benzothiazol-2-yl)-2-methylsulfanyl-propane-1-sulfonic acid

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-methylsulfanyl-propane-1-sulfonic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-methylsulfanyl-propane-1-sulfonic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-2-(methylthio)-1-propanesulfonic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-methylsulfanylpropane-1-sulfonic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-(methylthio)propane-1-sulfonic acid Formula: C11H13NO3S3 MolecularWeight: 303.42082

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC1=NC2=CC=CC=C2S1)CS(=O)(=O)O

Isomeric SMILES

CSC(CC1=NC2=CC=CC=C2S1)CS(=O)(=O)O

InChI

InChI=1S/C11H13NO3S3/c1-16-8(7-18(13,14)15)6-11-12-9-4-2-3-5-10(9)17-11/h2-5,8H,6-7H2,1H3,(H,13,14,15)