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

Systemtic Name: N-tert-butyl-1-[5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]thiophen-3-yl]methanimine oxide Openeye Name: N-tert-butyl-1-[5-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-thienyl]methanimine oxide CAS Name: N-tert-butyl-1-[5-[[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-oxomethyl]-3-thiophenyl]methanimine oxide IUPAC Name: N-tert-butyl-1-[5-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]thiophen-3-yl]methanimine oxide Traditional Name: N-tert-butyl-1-[5-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-3-thienyl]methanimine oxide Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](=CC1=CSC(=C1)C(=O)NC(CS)C(=O)O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S2/c1-13(2,3)15(19)5-8-4-10(21-7-8)11(16)14-9(6-20)12(17)18/h4-5,7,9,20H,6H2,1-3H3,(H,14,16)(H,17,18)/b15-5-