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

Systemtic Name: [2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(2-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[(2-bromobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H19BrN2O3S MolecularWeight: 471.36686

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H19BrN2O3S/c1-25(14-16-8-5-6-12-19(16)23)20(26)15-28-22(27)18-11-7-13-24-21(18)29-17-9-3-2-4-10-17/h2-13H,14-15H2,1H3