5-[2-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(2-amino-4-oxo-thiazol-5-yl)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(2-amino-4-keto-2-thiazolin-5-yl)acetyl]amino]isophthalic acid Formula: C13H11N3O6S MolecularWeight: 337.30794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)NC(=O)CC2C(=O)N=C(S2)N)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)NC(=O)CC2C(=O)N=C(S2)N)C(=O)O

InChI

InChI=1S/C13H11N3O6S/c14-13-16-10(18)8(23-13)4-9(17)15-7-2-5(11(19)20)1-6(3-7)12(21)22/h1-3,8H,4H2,(H,15,17)(H,19,20)(H,21,22)(H2,14,16,18)