[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H17BrClNO3S MolecularWeight: 442.75448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrClNO3S/c1-11(12-3-5-13(19)6-4-12)21-17(22)10-24-18(23)15-9-14(25-2)7-8-16(15)20/h3-9,11H,10H2,1-2H3,(H,21,22)