2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C13H9N3O4S2 MolecularWeight: 335.35826

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

Isomeric SMILES

CCSC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C13H9N3O4S2/c1-2-21-13-15-14-12(22-13)16-9(17)7-4-3-6(11(19)20)5-8(7)10(16)18/h3-5H,2H2,1H3,(H,19,20)