methyl 4-[[2-[2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoyloxy]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-[(4-bromo-8-chloro-1-naphthyl)sulfanyl]acetyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-[(4-bromo-8-chloro-1-naphthalenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(4-bromo-8-chloronaphthalen-1-yl)sulfanylacetyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-[(4-bromo-8-chloro-1-naphthyl)thio]acetyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C23H19BrClNO5S MolecularWeight: 536.82266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=C3C(=C(C=C2)Br)C=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=C3C(=C(C=C2)Br)C=CC=C3Cl

InChI

InChI=1S/C23H19BrClNO5S/c1-30-23(29)15-7-5-14(6-8-15)11-26-20(27)12-31-21(28)13-32-19-10-9-17(24)16-3-2-4-18(25)22(16)19/h2-10H,11-13H2,1H3,(H,26,27)