dimethyl 5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(1,3,4-thiadiazol-2-ylthio)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1,3,4-thiadiazol-2-ylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H13N3O5S2 MolecularWeight: 367.40012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN=CS2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN=CS2)C(=O)OC

InChI

InChI=1S/C14H13N3O5S2/c1-21-12(19)8-3-9(13(20)22-2)5-10(4-8)16-11(18)6-23-14-17-15-7-24-14/h3-5,7H,6H2,1-2H3,(H,16,18)