diethyl 2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)propanedioate

Systemtic Name: diethyl 2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)propanedioate Openeye Name: diethyl 2-(6-thioxocyclohexa-1,3-dien-1-yl)propanedioate CAS Name: 2-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)propanedioate Traditional Name: 2-(6-thioxocyclohexa-1,3-dien-1-yl)malonic acid diethyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CCC1=S)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=CCC1=S)C(=O)OCC

InChI

InChI=1S/C13H16O4S/c1-3-16-12(14)11(13(15)17-4-2)9-7-5-6-8-10(9)18/h5-7,11H,3-4,8H2,1-2H3