methyl 3-bromanyl-4-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethoxy]benzoate CAS Name: 3-bromo-4-[2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-keto-2-[2-(p-tolylthio)ethylamino]ethoxy]benzoic acid methyl ester Formula: C19H20BrNO4S MolecularWeight: 438.3354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C19H20BrNO4S/c1-13-3-6-15(7-4-13)26-10-9-21-18(22)12-25-17-8-5-14(11-16(17)20)19(23)24-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)