diethyl 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-1,3-thiazolidin-3-ium-2-ylidene]propanedioate

Systemtic Name: diethyl 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-1,3-thiazolidin-3-ium-2-ylidene]propanedioate Openeye Name: diethyl 2-[3-(3-chloro-4-fluoro-phenyl)thiazolidin-3-ium-2-ylidene]propanedioate CAS Name: 2-[3-(3-chloro-4-fluorophenyl)-2-thiazolidin-3-iumylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-3-ium-2-ylidene]propanedioate Traditional Name: 2-[3-(3-chloro-4-fluoro-phenyl)thiazolidin-3-ium-2-ylidene]malonic acid diethyl ester Formula: C16H18ClFNO4S+ MolecularWeight: 374.834823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1[NH+](CCS1)C2=CC(=C(C=C2)F)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C1[NH+](CCS1)C2=CC(=C(C=C2)F)Cl)C(=O)OCC

InChI

InChI=1S/C16H17ClFNO4S/c1-3-22-15(20)13(16(21)23-4-2)14-19(7-8-24-14)10-5-6-12(18)11(17)9-10/h5-6,9H,3-4,7-8H2,1-2H3/p+1