5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]isophthalate Formula: C13H9N3O5S2-2 MolecularWeight: 351.35766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)SCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H11N3O5S2/c1-6-15-16-13(23-6)22-5-10(17)14-9-3-7(11(18)19)2-8(4-9)12(20)21/h2-4H,5H2,1H3,(H,14,17)(H,18,19)(H,20,21)/p-2