[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C16H15BrN2O4S MolecularWeight: 411.2703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])Br

InChI

InChI=1S/C16H15BrN2O4S/c17-13-1-3-14(4-2-13)24-10-7-18-15(20)11-23-16(21)12-5-8-19(22)9-6-12/h1-6,8-9H,7,10-11H2,(H,18,20)