2-[2-(1,3-benzothiazol-6-ylcarbonylamino)ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-6-ylcarbonylamino)ethanoylamino]ethanoic acid Openeye Name: 2-[[2-(1,3-benzothiazole-6-carbonylamino)acetyl]amino]acetic acid CAS Name: 2-[[2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-(1,3-benzothiazole-6-carbonylamino)acetyl]amino]acetic acid Traditional Name: 2-[[2-(1,3-benzothiazole-6-carbonylamino)acetyl]amino]acetic acid Formula: C12H11N3O4S MolecularWeight: 293.29844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NCC(=O)NCC(=O)O)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NCC(=O)NCC(=O)O)SC=N2

InChI

InChI=1S/C12H11N3O4S/c16-10(13-5-11(17)18)4-14-12(19)7-1-2-8-9(3-7)20-6-15-8/h1-3,6H,4-5H2,(H,13,16)(H,14,19)(H,17,18)