N-tert-butyl-1-[1-methyl-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]pyrrol-2-yl]methanimine oxide

Systemtic Name: N-tert-butyl-1-[1-methyl-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]pyrrol-2-yl]methanimine oxide Openeye Name: N-tert-butyl-1-[5-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-1-methyl-pyrrol-2-yl]methanimine oxide CAS Name: N-tert-butyl-1-[5-[[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-oxomethyl]-1-methyl-2-pyrrolyl]methanimine oxide IUPAC Name: N-tert-butyl-1-[5-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]-1-methylpyrrol-2-yl]methanimine oxide Traditional Name: N-tert-butyl-1-[5-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-1-methyl-pyrrol-2-yl]methanimine oxide Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](=CC1=CC=C(N1C)C(=O)NC(CS)C(=O)O)[O-]

Isomeric SMILES

CC(C)(C)/[N+](=C\C1=CC=C(N1C)C(=O)NC(CS)C(=O)O)/[O-]

InChI

InChI=1S/C14H21N3O4S/c1-14(2,3)17(21)7-9-5-6-11(16(9)4)12(18)15-10(8-22)13(19)20/h5-7,10,22H,8H2,1-4H3,(H,15,18)(H,19,20)/b17-7+