[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H18BrNO3S/c1-12(13-3-7-15(19)8-4-13)20-17(21)11-23-18(22)14-5-9-16(24-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m1/s1