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

Systemtic Name: (4E)-4-[[(4-methoxyphenyl)amino]-sulfanyl-methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-3-hydroxy-4-[(4-methoxyanilino)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: (4E)-3-hydroxy-4-[mercapto-(4-methoxyanilino)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-3-hydroxy-4-[(4-methoxyanilino)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-3-hydroxy-4-[mercapto(p-anisidino)methylene]cyclohexa-2,5-dien-1-one Formula: C14H13NO3S MolecularWeight: 275.32292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=C2C=CC(=O)C=C2O)S

Isomeric SMILES

COC1=CC=C(C=C1)N/C(=C\2/C=CC(=O)C=C2O)/S

InChI

InChI=1S/C14H13NO3S/c1-18-11-5-2-9(3-6-11)15-14(19)12-7-4-10(16)8-13(12)17/h2-8,15,17,19H,1H3/b14-12+