[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C19H20BrNO3S MolecularWeight: 422.336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C19H20BrNO3S/c1-14(15-7-9-16(20)10-8-15)21-18(22)13-24-19(23)11-12-25-17-5-3-2-4-6-17/h2-10,14H,11-13H2,1H3,(H,21,22)