[(3Z)-1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-3-(thiophen-2-ylmethylidene)indol-4-yl] octanoate

Systemtic Name: [(3Z)-1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-3-(thiophen-2-ylmethylidene)indol-4-yl] octanoate Openeye Name: [(3Z)-1-carbamoyl-6-chloro-5-fluoro-2-oxo-3-(2-thienylmethylene)indolin-4-yl] octanoate CAS Name: octanoic acid [(3Z)-1-carbamoyl-6-chloro-5-fluoro-2-oxo-3-(thiophen-2-ylmethylidene)-4-indolyl] ester IUPAC Name: [(3Z)-1-carbamoyl-6-chloro-5-fluoro-2-oxo-3-(thiophen-2-ylmethylidene)indol-4-yl] octanoate Traditional Name: caprylic acid [(3Z)-1-carbamoyl-6-chloro-5-fluoro-2-keto-3-(2-thenylidene)indolin-4-yl] ester Formula: C22H22ClFN2O4S MolecularWeight: 464.937483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C2C(=CC(=C1F)Cl)N(C(=O)C2=CC3=CC=CS3)C(=O)N

Isomeric SMILES

CCCCCCCC(=O)OC1=C\2C(=CC(=C1F)Cl)N(C(=O)/C2=C\C3=CC=CS3)C(=O)N

InChI

InChI=1S/C22H22ClFN2O4S/c1-2-3-4-5-6-9-17(27)30-20-18-14(11-13-8-7-10-31-13)21(28)26(22(25)29)16(18)12-15(23)19(20)24/h7-8,10-12H,2-6,9H2,1H3,(H2,25,29)/b14-11-