[(Z)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-thiophen-2-yl-methyl] octanoate

Systemtic Name: [(Z)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-thiophen-2-yl-methyl] octanoate Openeye Name: [(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-indolin-3-ylidene)-(2-thienyl)methyl] octanoate CAS Name: octanoic acid [(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-3-indolylidene)-thiophen-2-ylmethyl] ester IUPAC Name: [(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-oxoindol-3-ylidene)-thiophen-2-ylmethyl] octanoate Traditional Name: caprylic acid [(Z)-(1-carbamoyl-6-chloro-5-fluoro-2-keto-indolin-3-ylidene)-(2-thienyl)methyl] ester Formula: C22H22ClFN2O4S MolecularWeight: 464.937483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(=C1C2=CC(=C(C=C2N(C1=O)C(=O)N)Cl)F)C3=CC=CS3

Isomeric SMILES

CCCCCCCC(=O)O/C(=C\1/C2=CC(=C(C=C2N(C1=O)C(=O)N)Cl)F)/C3=CC=CS3

InChI

InChI=1S/C22H22ClFN2O4S/c1-2-3-4-5-6-9-18(27)30-20(17-8-7-10-31-17)19-13-11-15(24)14(23)12-16(13)26(21(19)28)22(25)29/h7-8,10-12H,2-6,9H2,1H3,(H2,25,29)/b20-19-