[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H17ClFNO3S MolecularWeight: 381.848883

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H17ClFNO3S/c1-25-14-6-7-16(19)15(10-14)18(23)24-11-17(22)21-9-8-12-2-4-13(20)5-3-12/h2-7,10H,8-9,11H2,1H3,(H,21,22)