[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C17H15BrFNO3S MolecularWeight: 412.273303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC(=O)CSC2=CC=C(C=C2)Br)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)COC(=O)CSC2=CC=C(C=C2)Br)F

InChI

InChI=1S/C17H15BrFNO3S/c18-13-3-7-15(8-4-13)24-11-17(22)23-10-16(21)20-9-12-1-5-14(19)6-2-12/h1-8H,9-11H2,(H,20,21)