methyl 4-[[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl]thio]methyl]benzoic acid methyl ester Formula: C19H20FNO3S MolecularWeight: 361.430403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H20FNO3S/c1-13(18(22)21-11-14-5-9-17(20)10-6-14)25-12-15-3-7-16(8-4-15)19(23)24-2/h3-10,13H,11-12H2,1-2H3,(H,21,22)