2-ethoxy-6-iodanyl-4-[piperidin-1-yl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-ethoxy-6-iodanyl-4-[piperidin-1-yl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-ethoxy-6-iodo-4-[1-piperidyl(sulfanyl)methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-ethoxy-6-iodo-4-[mercapto(1-piperidinyl)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-ethoxy-6-iodo-4-[piperidin-1-yl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-ethoxy-6-iodo-4-[mercapto(piperidino)methylene]cyclohexa-2,5-dien-1-one Formula: C14H18INO2S MolecularWeight: 391.26769

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(N2CCCCC2)S)C=C(C1=O)I

Isomeric SMILES

CCOC1=CC(=C(N2CCCCC2)S)C=C(C1=O)I

InChI

InChI=1S/C14H18INO2S/c1-2-18-12-9-10(8-11(15)13(12)17)14(19)16-6-4-3-5-7-16/h8-9,19H,2-7H2,1H3