(4E)-2-methoxy-4-[(pentan-3-ylamino)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-2-methoxy-4-[(pentan-3-ylamino)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[(1-ethylpropylamino)-sulfanyl-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[mercapto-(pentan-3-ylamino)methylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-2-methoxy-4-[(pentan-3-ylamino)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[(1-ethylpropylamino)-mercapto-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=C1C=CC(=O)C(=C1)OC)S

Isomeric SMILES

CCC(CC)N/C(=C\1/C=CC(=O)C(=C1)OC)/S

InChI

InChI=1S/C13H19NO2S/c1-4-10(5-2)14-13(17)9-6-7-11(15)12(8-9)16-3/h6-8,10,14,17H,4-5H2,1-3H3/b13-9+