2-[2-[[2,4-bis(bromanyl)-5-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[[2,4-bis(bromanyl)-5-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2,4-dibromo-5-methoxy-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2,4-dibromo-5-methoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2,4-dibromo-5-methoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2,4-dibromo-5-methoxy-anilino)-2-keto-ethyl]thio]nicotinic acid Formula: C15H12Br2N2O4S MolecularWeight: 476.13978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O)Br)Br

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O)Br)Br

InChI

InChI=1S/C15H12Br2N2O4S/c1-23-12-6-11(9(16)5-10(12)17)19-13(20)7-24-14-8(15(21)22)3-2-4-18-14/h2-6H,7H2,1H3,(H,19,20)(H,21,22)