dimethyl 5-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-fluorobenzyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18FNO5S MolecularWeight: 391.413323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C19H18FNO5S/c1-25-18(23)13-7-14(19(24)26-2)9-16(8-13)21-17(22)11-27-10-12-3-5-15(20)6-4-12/h3-9H,10-11H2,1-2H3,(H,21,22)