[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H24BrNO5S MolecularWeight: 494.39866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C22H24BrNO5S/c1-28-20-10-8-16(23)14-18(20)19(25)9-11-22(27)29-15-21(26)24-12-5-13-30-17-6-3-2-4-7-17/h2-4,6-8,10,14H,5,9,11-13,15H2,1H3,(H,24,26)