2-methoxyethyl 4-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C21H21ClFN3O5S MolecularWeight: 481.924943

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C21H21ClFN3O5S/c1-30-9-10-31-19(28)8-7-18(27)26-21(32)25-14-4-2-3-13(11-14)20(29)24-15-5-6-17(23)16(22)12-15/h2-6,11-12H,7-10H2,1H3,(H,24,29)(H2,25,26,27,32)