methyl 2-acetamido-6-[2-(3-bromanyl-4-fluoranyl-phenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: methyl 2-acetamido-6-[2-(3-bromanyl-4-fluoranyl-phenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: methyl 2-acetamido-6-[2-(3-bromo-4-fluoro-phenyl)-4-oxo-thiazolidin-3-yl]hexanoate CAS Name: 2-acetamido-6-[2-(3-bromo-4-fluorophenyl)-4-oxo-3-thiazolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[2-(3-bromo-4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 2-acetamido-6-[2-(3-bromo-4-fluoro-phenyl)-4-keto-thiazolidin-3-yl]hexanoic acid methyl ester Formula: C18H22BrFN2O4S MolecularWeight: 461.345683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN1C(SCC1=O)C2=CC(=C(C=C2)F)Br)C(=O)OC

Isomeric SMILES

CC(=O)NC(CCCCN1C(SCC1=O)C2=CC(=C(C=C2)F)Br)C(=O)OC

InChI

InChI=1S/C18H22BrFN2O4S/c1-11(23)21-15(18(25)26-2)5-3-4-8-22-16(24)10-27-17(22)12-6-7-14(20)13(19)9-12/h6-7,9,15,17H,3-5,8,10H2,1-2H3,(H,21,23)