methyl 4-[[[2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[2-[(3-bromophenyl)methylthio]-3-pyridinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3-bromobenzyl)thio]nicotinoyl]amino]methyl]benzoic acid methyl ester Formula: C22H19BrN2O3S MolecularWeight: 471.36686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H19BrN2O3S/c1-28-22(27)17-9-7-15(8-10-17)13-25-20(26)19-6-3-11-24-21(19)29-14-16-4-2-5-18(23)12-16/h2-12H,13-14H2,1H3,(H,25,26)