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

Systemtic Name: 5-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]isophthalic acid Formula: C12H10N4O5S2 MolecularWeight: 354.3616

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)NC(=O)CSC2=NN=C(S2)N)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)NC(=O)CSC2=NN=C(S2)N)C(=O)O

InChI

InChI=1S/C12H10N4O5S2/c13-11-15-16-12(23-11)22-4-8(17)14-7-2-5(9(18)19)1-6(3-7)10(20)21/h1-3H,4H2,(H2,13,15)(H,14,17)(H,18,19)(H,20,21)