[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O4S/c1-13(21)14-10-16(20-11-14)18(23)24-12-17(22)19-8-5-9-25-15-6-3-2-4-7-15/h2-4,6-7,10-11,20H,5,8-9,12H2,1H3,(H,19,22)