[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-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=C2)Br

Isomeric SMILES

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

InChI

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