N-tert-butyl-1-[6-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]-3aH-inden-2-yl]methanimine oxide

Systemtic Name: N-tert-butyl-1-[6-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]-3aH-inden-2-yl]methanimine oxide Openeye Name: N-tert-butyl-1-[6-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3aH-inden-2-yl]methanimine oxide CAS Name: N-tert-butyl-1-[6-[[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-oxomethyl]-3aH-inden-2-yl]methanimine oxide IUPAC Name: N-tert-butyl-1-[6-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]-3aH-inden-2-yl]methanimine oxide Traditional Name: N-tert-butyl-1-[6-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-3aH-inden-2-yl]methanimine oxide Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](=CC1=CC2C=CC(=CC2=C1)C(=O)NC(CS)C(=O)O)[O-]

Isomeric SMILES

CC(C)(C)/[N+](=C/C1=CC2C=CC(=CC2=C1)C(=O)NC(CS)C(=O)O)/[O-]

InChI

InChI=1S/C18H22N2O4S/c1-18(2,3)20(24)9-11-6-12-4-5-13(8-14(12)7-11)16(21)19-15(10-25)17(22)23/h4-9,12,15,25H,10H2,1-3H3,(H,19,21)(H,22,23)/b20-9-