[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H18BrNO3S/c1-13-6-8-14(9-7-13)24-11-10-20-17(21)12-23-18(22)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3,(H,20,21)