2-azanyl-3-(2-azanyl-4-sulfanyl-1,3-benzothiazol-6-yl)-2-methyl-propanoic acid

Systemtic Name: 2-azanyl-3-(2-azanyl-4-sulfanyl-1,3-benzothiazol-6-yl)-2-methyl-propanoic acid Openeye Name: 2-amino-3-(2-amino-4-sulfanyl-1,3-benzothiazol-6-yl)-2-methyl-propanoic acid CAS Name: 2-amino-3-(2-amino-4-mercapto-1,3-benzothiazol-6-yl)-2-methylpropanoic acid IUPAC Name: 2-amino-3-(2-amino-4-sulfanyl-1,3-benzothiazol-6-yl)-2-methylpropanoic acid Traditional Name: 2-amino-3-(2-amino-4-mercapto-1,3-benzothiazol-6-yl)-2-methyl-propionic acid Formula: C11H13N3O2S2 MolecularWeight: 283.36982

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C(=C1)S)N=C(S2)N)(C(=O)O)N

Isomeric SMILES

CC(CC1=CC2=C(C(=C1)S)N=C(S2)N)(C(=O)O)N

InChI

InChI=1S/C11H13N3O2S2/c1-11(13,9(15)16)4-5-2-6(17)8-7(3-5)18-10(12)14-8/h2-3,17H,4,13H2,1H3,(H2,12,14)(H,15,16)