ethyl 3-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-bromophenyl)methylthio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-bromobenzyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC=C(C=C2)Br

InChI

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