ethyl 4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO3S/c1-3-23-18(22)13-4-7-15(8-5-13)20-17(21)11-24-16-9-6-14(19)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,21)