(4E)-3-oxidanyl-4-[[(4-propanoylphenyl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-3-oxidanyl-4-[[(4-propanoylphenyl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-3-hydroxy-4-[(4-propanoylanilino)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: (4E)-3-hydroxy-4-[mercapto-[4-(1-oxopropyl)anilino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-3-hydroxy-4-[(4-propanoylanilino)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-3-hydroxy-4-[mercapto-(4-propionylanilino)methylene]cyclohexa-2,5-dien-1-one Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)NC(=C2C=CC(=O)C=C2O)S

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)N/C(=C\2/C=CC(=O)C=C2O)/S

InChI

InChI=1S/C16H15NO3S/c1-2-14(19)10-3-5-11(6-4-10)17-16(21)13-8-7-12(18)9-15(13)20/h3-9,17,20-21H,2H2,1H3/b16-13+