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

Systemtic Name: 2-[2-[(3-bromanyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(3-bromo-4-methoxy-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(3-bromo-4-methoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3-bromo-4-methoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(3-bromo-4-methoxy-anilino)-2-keto-ethyl]thio]nicotinic acid Formula: C15H13BrN2O4S MolecularWeight: 397.24372

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O4S/c1-22-12-5-4-9(7-11(12)16)18-13(19)8-23-14-10(15(20)21)3-2-6-17-14/h2-7H,8H2,1H3,(H,18,19)(H,20,21)