4-[2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylbenzoate

Systemtic Name: 4-[2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylbenzoate Openeye Name: 4-[2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-isoindoline-5-carbonyl]benzoate CAS Name: 4-[[2-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-5-isoindolyl]-oxomethyl]benzoate IUPAC Name: 4-[2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carbonyl]benzoate Traditional Name: 4-[2-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1,3-diketo-isoindoline-5-carbonyl]benzoate Formula: C20H12N3O5S2- MolecularWeight: 438.45638

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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)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H13N3O5S2/c1-2-29-20-22-21-19(30-20)23-16(25)13-8-7-12(9-14(13)17(23)26)15(24)10-3-5-11(6-4-10)18(27)28/h3-9H,2H2,1H3,(H,27,28)/p-1