[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C15H18BrNO4S MolecularWeight: 388.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC(=O)NCCSC1=CC=C(C=C1)Br

Isomeric SMILES

CC(=O)CCC(=O)OCC(=O)NCCSC1=CC=C(C=C1)Br

InChI

InChI=1S/C15H18BrNO4S/c1-11(18)2-7-15(20)21-10-14(19)17-8-9-22-13-5-3-12(16)4-6-13/h3-6H,2,7-10H2,1H3,(H,17,19)