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

Systemtic Name: (4E)-4-[(cyclopentylamino)-sulfanyl-methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[(cyclopentylamino)-sulfanyl-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[(cyclopentylamino)-mercaptomethylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[(cyclopentylamino)-sulfanylmethylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[(cyclopentylamino)-mercapto-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(NC2CCCC2)S)C=CC1=O

Isomeric SMILES

COC1=C/C(=C(\NC2CCCC2)/S)/C=CC1=O

InChI

InChI=1S/C13H17NO2S/c1-16-12-8-9(6-7-11(12)15)13(17)14-10-4-2-3-5-10/h6-8,10,14,17H,2-5H2,1H3/b13-9+