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

Systemtic Name: (1S)-3-(1,3-benzothiazol-2-yl)-1-sulfanyl-propane-1-sulfonic acid Openeye Name: (1S)-3-(1,3-benzothiazol-2-yl)-1-sulfanyl-propane-1-sulfonic acid CAS Name: (1S)-3-(1,3-benzothiazol-2-yl)-1-mercapto-1-propanesulfonic acid IUPAC Name: (1S)-3-(1,3-benzothiazol-2-yl)-1-sulfanylpropane-1-sulfonic acid Traditional Name: (1S)-3-(1,3-benzothiazol-2-yl)-1-mercapto-propane-1-sulfonic acid Formula: C10H11NO3S3 MolecularWeight: 289.39424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(S)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC[C@@H](S)S(=O)(=O)O

InChI

InChI=1S/C10H11NO3S3/c12-17(13,14)10(15)6-5-9-11-7-3-1-2-4-8(7)16-9/h1-4,10,15H,5-6H2,(H,12,13,14)/t10-/m0/s1