S-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-(1,3-dioxoisoindolin-2-yl)-2-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-(1,3-dioxo-2-isoindolyl)-2-oxopropyl] ester IUPAC Name: S-[3-(1,3-dioxoisoindol-2-yl)-2-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-(2-keto-3-phthalimido-propyl) ester Formula: C18H13NO4S MolecularWeight: 339.36512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H13NO4S/c20-13(11-24-18(23)12-6-2-1-3-7-12)10-19-16(21)14-8-4-5-9-15(14)17(19)22/h1-9H,10-11H2