[(E)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-thiophen-2-yl-methoxy]methyl 2-phenylmethoxybutanoate

Systemtic Name: [(E)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-thiophen-2-yl-methoxy]methyl 2-phenylmethoxybutanoate Openeye Name: [(E)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-indolin-3-ylidene)-(2-thienyl)methoxy]methyl 2-benzyloxybutanoate CAS Name: 2-phenylmethoxybutanoic acid [(E)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-3-indolylidene)-thiophen-2-ylmethoxy]methyl ester IUPAC Name: [(E)-(1-carbamoyl-6-chloro-5-fluoro-2-oxoindol-3-ylidene)-thiophen-2-ylmethoxy]methyl 2-phenylmethoxybutanoate Traditional Name: 2-benzoxybutyric acid [(E)-(1-carbamoyl-6-chloro-5-fluoro-2-keto-indolin-3-ylidene)-(2-thienyl)methoxy]methyl ester Formula: C26H22ClFN2O6S MolecularWeight: 544.979083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCOC(=C1C2=CC(=C(C=C2N(C1=O)C(=O)N)Cl)F)C3=CC=CS3)OCC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)OCO/C(=C/1\C2=CC(=C(C=C2N(C1=O)C(=O)N)Cl)F)/C3=CC=CS3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H22ClFN2O6S/c1-2-20(34-13-15-7-4-3-5-8-15)25(32)36-14-35-23(21-9-6-10-37-21)22-16-11-18(28)17(27)12-19(16)30(24(22)31)26(29)33/h3-12,20H,2,13-14H2,1H3,(H2,29,33)/b23-22+