N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-4-methylsulfanyl-butan-2-yl]-N-methyl-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-4-methylsulfanyl-butan-2-yl]-N-methyl-2-(4-nitrophenyl)ethanamide Openeye Name: N-[(1S)-1-(2,5-dihydropyrrol-1-ylmethyl)-3-methylsulfanyl-propyl]-N-methyl-2-(4-nitrophenyl)acetamide CAS Name: N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-4-(methylthio)butan-2-yl]-N-methyl-2-(4-nitrophenyl)acetamide IUPAC Name: N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-4-methylsulfanylbutan-2-yl]-N-methyl-2-(4-nitrophenyl)acetamide Traditional Name: N-methyl-N-[(1S)-3-(methylthio)-1-(3-pyrrolin-1-ylmethyl)propyl]-2-(4-nitrophenyl)acetamide Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCSC)CN1CC=CC1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN([C@@H](CCSC)CN1CC=CC1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O3S/c1-19(17(9-12-25-2)14-20-10-3-4-11-20)18(22)13-15-5-7-16(8-6-15)21(23)24/h3-8,17H,9-14H2,1-2H3/t17-/m0/s1