S-[(E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]but-2-enyl] ethanethioate

Systemtic Name: S-[(E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]but-2-enyl] ethanethioate Openeye Name: S-[(E)-4-(1,3-dioxoisoindolin-2-yl)but-2-enyl] ethanethioate CAS Name: ethanethioic acid S-[(E)-4-(1,3-dioxo-2-isoindolyl)but-2-enyl] ester IUPAC Name: S-[(E)-4-(1,3-dioxoisoindol-2-yl)but-2-enyl] ethanethioate Traditional Name: ethanethioic acid S-[(E)-4-phthalimidobut-2-enyl] ester Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC=CCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(=O)SC/C=C/CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H13NO3S/c1-10(16)19-9-5-4-8-15-13(17)11-6-2-3-7-12(11)14(15)18/h2-7H,8-9H2,1H3/b5-4+