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

Systemtic Name: [(E)-(1-aminocarbonyl-6-chloranyl-5-fluoranyl-2-oxidanylidene-indol-3-ylidene)-thiophen-2-yl-methoxy]methyl 2-azanyl-3-methyl-butanoate Openeye Name: [(E)-(1-carbamoyl-6-chloro-5-fluoro-2-oxo-indolin-3-ylidene)-(2-thienyl)methoxy]methyl 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic 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-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [(E)-(1-carbamoyl-6-chloro-5-fluoro-2-keto-indolin-3-ylidene)-(2-thienyl)methoxy]methyl ester Formula: C20H19ClFN3O5S MolecularWeight: 467.898363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClFN3O5S/c1-9(2)16(23)19(27)30-8-29-17(14-4-3-5-31-14)15-10-6-12(22)11(21)7-13(10)25(18(15)26)20(24)28/h3-7,9,16H,8,23H2,1-2H3,(H2,24,28)/b17-15+