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methyl 3-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoate

methyl 3-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name:methyl 3-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoate
Openeye Name:methyl 3-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl]sulfanylpropanoate
CAS Name:3-[[2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl]thio]propanoic acid methyl ester
IUPAC Name:methyl 3-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]sulfanylpropanoate
Traditional Name:3-[[2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl]thio]propionic acid methyl ester
Formula: C14H18BrNO3S2
MolecularWeight: 392.33162
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NCCSC1=CC=C(C=C1)Br


Isomeric SMILES

COC(=O)CCSCC(=O)NCCSC1=CC=C(C=C1)Br


InChI

InChI=1S/C14H18BrNO3S2/c1-19-14(18)6-8-20-10-13(17)16-7-9-21-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,17)


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