2-[2-(4-bromophenyl)sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[2-(4-bromophenyl)sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C17H16BrNO5S MolecularWeight: 426.28164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C17H16BrNO5S/c1-23-14-7-12(17(21)22)13(8-15(14)24-2)19-16(20)9-25-11-5-3-10(18)4-6-11/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)