ethyl 4-[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-3,5-bis(fluoranyl)-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]sulfinylbenzoate

Systemtic Name: ethyl 4-[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-3,5-bis(fluoranyl)-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]sulfinylbenzoate Openeye Name: ethyl 4-[[2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]sulfinyl]benzoate CAS Name: 4-[[2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]-3,5-difluoro-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]sulfinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]sulfinylbenzoate Traditional Name: 4-[[2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(1-methyl-4-imidazolin-2-yl)phenoxy]-4-pyridyl]sulfinyl]benzoic acid ethyl ester Formula: C31H27F2N5O6S MolecularWeight: 635.637786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)C2=C(C(=NC(=C2F)OC3=CC(=C(N)N)C=CC3=O)OC4=CC=CC(=C4)C5NC=CN5C)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)C2=C(C(=NC(=C2F)OC3=CC(=C(N)N)C=CC3=O)OC4=CC=CC(=C4)C5NC=CN5C)F

InChI

InChI=1S/C31H27F2N5O6S/c1-3-42-31(40)17-7-10-21(11-8-17)45(41)26-24(32)29(43-20-6-4-5-19(15-20)28-36-13-14-38(28)2)37-30(25(26)33)44-23-16-18(27(34)35)9-12-22(23)39/h4-16,28,36H,3,34-35H2,1-2H3