2-azanyl-5-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pentanoic acid

Systemtic Name: 2-azanyl-5-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pentanoic acid Openeye Name: 2-amino-5-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoic acid CAS Name: 2-amino-5-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoic acid IUPAC Name: 2-amino-5-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoic acid Traditional Name: 2-amino-5-(1,1,3-triketo-1,2-benzothiazol-2-yl)valeric acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5S/c13-9(12(16)17)5-3-7-14-11(15)8-4-1-2-6-10(8)20(14,18)19/h1-2,4,6,9H,3,5,7,13H2,(H,16,17)