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

Systemtic Name: (4E)-4-[(2-hydroxyethylamino)-sulfanyl-methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[(2-hydroxyethylamino)-sulfanyl-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[(2-hydroxyethylamino)-mercaptomethylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[(2-hydroxyethylamino)-sulfanylmethylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[(2-hydroxyethylamino)-mercapto-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(NCCO)S)C=CC1=O

Isomeric SMILES

COC1=C/C(=C(\NCCO)/S)/C=CC1=O

InChI

InChI=1S/C10H13NO3S/c1-14-9-6-7(2-3-8(9)13)10(15)11-4-5-12/h2-3,6,11-12,15H,4-5H2,1H3/b10-7+