methyl 2-[[(4Z)-4-[(2-azanylpyridin-3-yl)methylidene]-6-phenyl-cyclohexa-1,5-dien-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[(4Z)-4-[(2-azanylpyridin-3-yl)methylidene]-6-phenyl-cyclohexa-1,5-dien-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[(4Z)-4-[(2-amino-3-pyridyl)methylene]-6-phenyl-cyclohexa-1,5-diene-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[(4Z)-4-[(2-amino-3-pyridinyl)methylidene]-6-phenyl-1-cyclohexa-1,5-dienyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[(4Z)-4-[(2-aminopyridin-3-yl)methylidene]-6-phenylcyclohexa-1,5-diene-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[(4Z)-4-[(2-amino-3-pyridyl)methylene]-6-phenyl-cyclohexa-1,5-diene-1-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CCC(=CC2=C(N=CC=C2)N)C=C1C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC/C(=C/C2=C(N=CC=C2)N)/C=C1C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3S/c1-31-25(30)22(12-14-32-2)28-24(29)20-11-10-17(15-19-9-6-13-27-23(19)26)16-21(20)18-7-4-3-5-8-18/h3-9,11,13,15-16,22H,10,12,14H2,1-2H3,(H2,26,27)(H,28,29)/b17-15-