[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(2-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[(2-bromobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C17H17BrN2O3S/c1-20(10-12-6-3-4-8-14(12)18)15(21)11-23-17(22)13-7-5-9-19-16(13)24-2/h3-9H,10-11H2,1-2H3