[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-methylsulfinylbenzoate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-methylsulfinylbenzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-methylsulfinylbenzoate CAS Name: 4-methylsulfinylbenzoic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylsulfinylbenzoate Traditional Name: 4-methylsulfinylbenzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18FNO4S MolecularWeight: 363.403223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FNO4S/c1-12(17(21)20-11-13-3-7-15(19)8-4-13)24-18(22)14-5-9-16(10-6-14)25(2)23/h3-10,12H,11H2,1-2H3,(H,20,21)