methyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]benzoate CAS Name: 4-[[2-[(2-fluorophenyl)methylthio]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]benzoate Traditional Name: 4-[2-[(2-fluorobenzyl)thio]ethylcarbamoyl]benzoic acid methyl ester Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F

InChI

InChI=1S/C18H18FNO3S/c1-23-18(22)14-8-6-13(7-9-14)17(21)20-10-11-24-12-15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3,(H,20,21)