2-azanyl-2-(1,3-benzothiazol-2-yl)-3-sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-2-(1,3-benzothiazol-2-yl)-3-sulfanyl-propanoic acid Openeye Name: 2-amino-2-(1,3-benzothiazol-2-yl)-3-sulfanyl-propanoic acid CAS Name: 2-amino-2-(1,3-benzothiazol-2-yl)-3-mercaptopropanoic acid IUPAC Name: 2-amino-2-(1,3-benzothiazol-2-yl)-3-sulfanylpropanoic acid Traditional Name: 2-amino-2-(1,3-benzothiazol-2-yl)-3-mercapto-propionic acid Formula: C10H10N2O2S2 MolecularWeight: 254.3286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(CS)(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(CS)(C(=O)O)N

InChI

InChI=1S/C10H10N2O2S2/c11-10(5-15,9(13)14)8-12-6-3-1-2-4-7(6)16-8/h1-4,15H,5,11H2,(H,13,14)