5-[[2-[(3-bromophenyl)methylsulfanyl]ethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-[(3-bromophenyl)methylsulfanyl]ethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[(3-bromophenyl)methylthio]-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-[(3-bromobenzyl)thio]acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSCC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSCC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C18H18BrNO4S/c1-24-16-6-5-12(8-15(16)18(22)23)9-20-17(21)11-25-10-13-3-2-4-14(19)7-13/h2-8H,9-11H2,1H3,(H,20,21)(H,22,23)