2-azanyl-3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]propionic acid Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S2/c13-7(11(17)18)5-19-6-10(16)15-12-14-8-3-1-2-4-9(8)20-12/h1-4,7H,5-6,13H2,(H,17,18)(H,14,15,16)