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

Systemtic Name: 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylbenzoate Openeye Name: 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-isoindoline-5-carbonyl]benzoate CAS Name: 4-[[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolyl]-oxomethyl]benzoate IUPAC Name: 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carbonyl]benzoate Traditional Name: 4-[1,3-diketo-2-(5-methyl-1,3,4-thiadiazol-2-yl)isoindoline-5-carbonyl]benzoate Formula: C19H10N3O5S- MolecularWeight: 392.3648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C19H11N3O5S/c1-9-20-21-19(28-9)22-16(24)13-7-6-12(8-14(13)17(22)25)15(23)10-2-4-11(5-3-10)18(26)27/h2-8H,1H3,(H,26,27)/p-1