S-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanethioate

Systemtic Name: S-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanethioate Openeye Name: S-(7-oxocyclohepta-1,3,5-trien-1-yl) 3-(1,3-dioxoisoindolin-2-yl)propanethioate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanethioic acid S-(7-oxo-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: S-(7-oxocyclohepta-1,3,5-trien-1-yl) 3-(1,3-dioxoisoindol-2-yl)propanethioate Traditional Name: 3-phthalimidopropanethioic acid S-(7-ketocyclohepta-1,3,5-trien-1-yl) ester Formula: C18H13NO4S MolecularWeight: 339.36512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=O)C=C1)SC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C(=O)C=C1)SC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

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