2-[2-(4-bromophenyl)sulfanylethanoylamino]-3,4,5-trimethoxy-benzoic acid

Systemtic Name: 2-[2-(4-bromophenyl)sulfanylethanoylamino]-3,4,5-trimethoxy-benzoic acid Openeye Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3,4,5-trimethoxy-benzoic acid CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-3,4,5-trimethoxybenzoic acid IUPAC Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3,4,5-trimethoxybenzoic acid Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-3,4,5-trimethoxy-benzoic acid Formula: C18H18BrNO6S MolecularWeight: 456.30762

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO6S/c1-24-13-8-12(18(22)23)15(17(26-3)16(13)25-2)20-14(21)9-27-11-6-4-10(19)5-7-11/h4-8H,9H2,1-3H3,(H,20,21)(H,22,23)