2-azanyl-3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid Openeye Name: 2-amino-3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid CAS Name: 2-amino-3-(1,3-benzothiazol-2-ylthio)propanoic acid IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid Traditional Name: 2-amino-3-(1,3-benzothiazol-2-ylthio)propionic acid Formula: C10H10N2O2S2 MolecularWeight: 254.3286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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