5-[[2-(4-bromophenyl)sulfanylethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-(4-bromophenyl)sulfanylethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-(4-bromophenyl)sulfanylacetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-(4-bromophenyl)sulfanylacetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-[(4-bromophenyl)thio]acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H16BrNO4S/c1-23-15-7-2-11(8-14(15)17(21)22)9-19-16(20)10-24-13-5-3-12(18)4-6-13/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)