dodecyl 3-[[2-[3-[[2,5-bis(chloranyl)-4-[4-cyano-5-[2-[5-methyl-4-oxidanylidene-3-(phenylcarbonylimino)cyclohexa-1,5-dien-1-yl]hydrazinyl]pyrazol-1-yl]phenoxy]sulfinylamino]phenoxy]-3-oxidanylidene-3-phenyl-propanoyl]amino]-4-methoxy-benzoate

Systemtic Name: dodecyl 3-[[2-[3-[[2,5-bis(chloranyl)-4-[4-cyano-5-[2-[5-methyl-4-oxidanylidene-3-(phenylcarbonylimino)cyclohexa-1,5-dien-1-yl]hydrazinyl]pyrazol-1-yl]phenoxy]sulfinylamino]phenoxy]-3-oxidanylidene-3-phenyl-propanoyl]amino]-4-methoxy-benzoate Openeye Name: dodecyl 3-[[2-[3-[[4-[5-[2-(3-benzoylimino-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl)hydrazino]-4-cyano-pyrazol-1-yl]-2,5-dichloro-phenoxy]sulfinylamino]phenoxy]-3-oxo-3-phenyl-propanoyl]amino]-4-methoxy-benzoate CAS Name: 3-[[2-[3-[[4-[5-[(3-benzoylimino-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl)hydrazo]-4-cyano-1-pyrazolyl]-2,5-dichlorophenoxy]sulfinylamino]phenoxy]-1,3-dioxo-3-phenylpropyl]amino]-4-methoxybenzoic acid dodecyl ester IUPAC Name: dodecyl 3-[[2-[3-[[4-[5-[2-(3-benzoylimino-5-methyl-4-oxocyclohexa-1,5-dien-1-yl)hydrazinyl]-4-cyanopyrazol-1-yl]-2,5-dichlorophenoxy]sulfinylamino]phenoxy]-3-oxo-3-phenylpropanoyl]amino]-4-methoxybenzoate Traditional Name: 3-[[2-[3-[[4-[5-[N'-(3-benzoylimino-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl)hydrazino]-4-cyano-pyrazol-1-yl]-2,5-dichloro-phenoxy]sulfinylamino]phenoxy]-3-keto-3-phenyl-propanoyl]amino]-4-methoxy-benzoic acid lauryl ester Formula: C59H58Cl2N8O10S MolecularWeight: 1142.11042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C2=CC=CC=C2)OC3=CC=CC(=C3)NS(=O)OC4=C(C=C(C(=C4)Cl)N5C(=C(C=N5)C#N)NNC6=CC(=NC(=O)C7=CC=CC=C7)C(=O)C(=C6)C)Cl

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C2=CC=CC=C2)OC3=CC=CC(=C3)NS(=O)OC4=C(C=C(C(=C4)Cl)N5C(=C(C=N5)C#N)NNC6=CC(=NC(=O)C7=CC=CC=C7)C(=O)C(=C6)C)Cl

InChI

InChI=1S/C59H58Cl2N8O10S/c1-4-5-6-7-8-9-10-11-12-19-29-77-59(74)41-27-28-51(76-3)48(31-41)64-58(73)55(54(71)39-21-15-13-16-22-39)78-45-26-20-25-43(32-45)68-80(75)79-52-35-46(60)50(34-47(52)61)69-56(42(36-62)37-63-69)67-66-44-30-38(2)53(70)49(33-44)65-57(72)40-23-17-14-18-24-40/h13-18,20-28,30-35,37,55,66-68H,4-12,19,29H2,1-3H3,(H,64,73)