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

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrN2O3S/c1-19-9-2-3-14(19)16(21)22-11-15(20)18-8-10-23-13-6-4-12(17)5-7-13/h2-7,9H,8,10-11H2,1H3,(H,18,20)