2-(1,3-benzothiazol-2-ylamino)-3-sulfanyl-propanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-3-sulfanyl-propanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-3-sulfanyl-propanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylamino)-3-mercaptopropanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-3-sulfanylpropanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-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)NC(CS)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O2S2/c13-9(14)7(5-15)12-10-11-6-3-1-2-4-8(6)16-10/h1-4,7,15H,5H2,(H,11,12)(H,13,14)