methyl 3-[2-(4-bromophenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(4-bromophenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4-bromophenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H14BrNO3S MolecularWeight: 380.25626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H14BrNO3S/c1-21-16(20)11-3-2-4-13(9-11)18-15(19)10-22-14-7-5-12(17)6-8-14/h2-9H,10H2,1H3,(H,18,19)