[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-19-11-5-9-15(19)17(21)22-13-16(20)18-10-6-12-23-14-7-3-2-4-8-14/h2-5,7-9,11H,6,10,12-13H2,1H3,(H,18,20)