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

Systemtic Name: 4-[2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylbenzoate Openeye Name: 4-[2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-isoindoline-5-carbonyl]benzoate CAS Name: 4-[[2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolyl]-oxomethyl]benzoate IUPAC Name: 4-[2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carbonyl]benzoate Traditional Name: 4-[2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diketo-isoindoline-5-carbonyl]benzoate Formula: C20H12N3O5S- MolecularWeight: 406.39138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C20H13N3O5S/c1-2-15-21-22-20(29-15)23-17(25)13-8-7-12(9-14(13)18(23)26)16(24)10-3-5-11(6-4-10)19(27)28/h3-9H,2H2,1H3,(H,27,28)/p-1