3-[[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1,3-benzothiazol-2-yl]sulfanyl]propanoate

Systemtic Name: 3-[[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1,3-benzothiazol-2-yl]sulfanyl]propanoate Openeye Name: 3-[[6-(1,3-dioxoisoindolin-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[6-(1,3-dioxo-2-isoindolyl)-1,3-benzothiazol-2-yl]thio]propanoate IUPAC Name: 3-[[6-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[(6-phthalimido-1,3-benzothiazol-2-yl)thio]propionate Formula: C18H11N2O4S2- MolecularWeight: 383.42094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCCC(=O)[O-]

InChI

InChI=1S/C18H12N2O4S2/c21-15(22)7-8-25-18-19-13-6-5-10(9-14(13)26-18)20-16(23)11-3-1-2-4-12(11)17(20)24/h1-6,9H,7-8H2,(H,21,22)/p-1