methyl 2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-5-chloranyl-benzoate

Systemtic Name: methyl 2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-5-chloranyl-benzoate Openeye Name: methyl 2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-acetyl]amino]-5-chloro-benzoate CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxo-2-phenylethyl]amino]-5-chlorobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenyl)sulfanyl-2-phenylacetyl]amino]-5-chlorobenzoate Traditional Name: 2-[[2-[(4-bromophenyl)thio]-2-phenyl-acetyl]amino]-5-chloro-benzoic acid methyl ester Formula: C22H17BrClNO3S MolecularWeight: 490.79728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H17BrClNO3S/c1-28-22(27)18-13-16(24)9-12-19(18)25-21(26)20(14-5-3-2-4-6-14)29-17-10-7-15(23)8-11-17/h2-13,20H,1H3,(H,25,26)