2-[(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]sulfanylisoindole-1,3-dione

Systemtic Name: 2-[(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]sulfanylisoindole-1,3-dione Openeye Name: 2-[(1Z)-1-[ethoxy(hydroxy)methylene]-2-oxo-propyl]sulfanylisoindoline-1,3-dione CAS Name: 2-[[(Z)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]thio]isoindole-1,3-dione IUPAC Name: 2-[(Z)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]sulfanylisoindole-1,3-dione Traditional Name: 2-[[(Z)-1-acetyl-2-ethoxy-2-hydroxy-vinyl]thio]isoindoline-1,3-quinone Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C)SN1C(=O)C2=CC=CC=C2C1=O)O

Isomeric SMILES

CCO/C(=C(/C(=O)C)\SN1C(=O)C2=CC=CC=C2C1=O)/O

InChI

InChI=1S/C14H13NO5S/c1-3-20-14(19)11(8(2)16)21-15-12(17)9-6-4-5-7-10(9)13(15)18/h4-7,19H,3H2,1-2H3/b14-11-