(4E)-2-methoxy-4-[(Z)-3-(oxidanylamino)-4-phenylsulfanyl-but-2-enylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-2-methoxy-4-[(Z)-3-(oxidanylamino)-4-phenylsulfanyl-but-2-enylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[(Z)-3-(hydroxyamino)-4-phenylsulfanyl-but-2-enylidene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[(Z)-3-(hydroxyamino)-4-(phenylthio)but-2-enylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[(Z)-3-(hydroxyamino)-4-phenylsulfanylbut-2-enylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[(Z)-3-(hydroxyamino)-4-(phenylthio)but-2-enylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C(CSC2=CC=CC=C2)NO)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/C=C(/CSC2=CC=CC=C2)\NO)/C=CC1=O

InChI

InChI=1S/C17H17NO3S/c1-21-17-11-13(8-10-16(17)19)7-9-14(18-20)12-22-15-5-3-2-4-6-15/h2-11,18,20H,12H2,1H3/b13-7+,14-9-