O1-(2-acetyloxyethylsulfanyl) O3-(3-chloranyl-4-fluoranyl-phenyl) (2E)-2-(azanylmethylidene)propanedioate

Systemtic Name: O1-(2-acetyloxyethylsulfanyl) O3-(3-chloranyl-4-fluoranyl-phenyl) (2E)-2-(azanylmethylidene)propanedioate Openeye Name: O1-(2-acetoxyethylsulfanyl) O3-(3-chloro-4-fluoro-phenyl) (2E)-2-(aminomethylene)propanedioate CAS Name: (2E)-2-(aminomethylidene)propanedioic acid O1-(2-acetyloxyethylthio) ester O3-(3-chloro-4-fluorophenyl) ester IUPAC Name: 1-O-(2-acetyloxyethylsulfanyl) 3-O-(3-chloro-4-fluorophenyl) (2E)-2-(aminomethylidene)propanedioate Traditional Name: (2E)-2-(aminomethylene)malonic acid O1-(2-acetoxyethylthio) ester O3-(3-chloro-4-fluoro-phenyl) ester Formula: C14H13ClFNO6S MolecularWeight: 377.772523

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSOC(=O)C(=CN)C(=O)OC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CC(=O)OCCSOC(=O)/C(=C/N)/C(=O)OC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C14H13ClFNO6S/c1-8(18)21-4-5-24-23-14(20)10(7-17)13(19)22-9-2-3-12(16)11(15)6-9/h2-3,6-7H,4-5,17H2,1H3/b10-7+