[4-[2-[2-bromanylpropanoyl(oxidanyl)amino]-3-ethoxy-1-methylsulfanyl-3-oxidanylidene-propyl]phenyl] benzoate

Systemtic Name: [4-[2-[2-bromanylpropanoyl(oxidanyl)amino]-3-ethoxy-1-methylsulfanyl-3-oxidanylidene-propyl]phenyl] benzoate Openeye Name: [4-[2-[2-bromopropanoyl(hydroxy)amino]-3-ethoxy-1-methylsulfanyl-3-oxo-propyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-[(2-bromo-1-oxopropyl)-hydroxyamino]-3-ethoxy-1-(methylthio)-3-oxopropyl]phenyl] ester IUPAC Name: [4-[2-[2-bromopropanoyl(hydroxy)amino]-3-ethoxy-1-methylsulfanyl-3-oxopropyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-[2-bromopropanoyl(hydroxy)amino]-3-ethoxy-3-keto-1-(methylthio)propyl]phenyl] ester Formula: C22H24BrNO6S MolecularWeight: 510.39806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)SC)N(C(=O)C(C)Br)O

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)SC)N(C(=O)C(C)Br)O

InChI

InChI=1S/C22H24BrNO6S/c1-4-29-22(27)18(24(28)20(25)14(2)23)19(31-3)15-10-12-17(13-11-15)30-21(26)16-8-6-5-7-9-16/h5-14,18-19,28H,4H2,1-3H3