ethyl 2-azanyl-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]sulfanyl-butanoate

Systemtic Name: ethyl 2-azanyl-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]sulfanyl-butanoate Openeye Name: ethyl 2-amino-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]sulfanyl]butanoate CAS Name: 2-amino-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]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-amino-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]sulfanylbutanoate Traditional Name: 2-amino-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]thio]butyric acid ethyl ester Formula: C28H30F2N6O5S MolecularWeight: 600.636806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC1=C(C(=NC(=C1F)OC2=CC(=C(N)N)C=CC2=O)OC3=CC=CC(=C3)C4NC=CN4C)F)N

Isomeric SMILES

CCOC(=O)C(CCSC1=C(C(=NC(=C1F)OC2=CC(=C(N)N)C=CC2=O)OC3=CC=CC(=C3)C4NC=CN4C)F)N

InChI

InChI=1S/C28H30F2N6O5S/c1-3-39-28(38)18(31)9-12-42-23-21(29)26(40-17-6-4-5-16(13-17)25-34-10-11-36(25)2)35-27(22(23)30)41-20-14-15(24(32)33)7-8-19(20)37/h4-8,10-11,13-14,18,25,34H,3,9,12,31-33H2,1-2H3