methyl 5-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: methyl 5-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]-2-chloranyl-benzoate Openeye Name: methyl 5-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-[(4-bromophenyl)methylthio]-1-oxoethyl]amino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-[(4-bromobenzyl)thio]acetyl]amino]-2-chloro-benzoic acid methyl ester Formula: C17H15BrClNO3S MolecularWeight: 428.7279

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)Br)Cl

InChI

InChI=1S/C17H15BrClNO3S/c1-23-17(22)14-8-13(6-7-15(14)19)20-16(21)10-24-9-11-2-4-12(18)5-3-11/h2-8H,9-10H2,1H3,(H,20,21)