2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[[2-methyl-2-(nitrosothio)propyl]amino]-oxomethyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid IUPAC Name: 2-[(2-methyl-2-nitrososulfanylpropyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[[2-methyl-2-(nitrosothio)propyl]carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1C2C=CC(C1C(=O)O)O2)SN=O

Isomeric SMILES

CC(C)(CNC(=O)C1C2C=CC(C1C(=O)O)O2)SN=O

InChI

InChI=1S/C12H16N2O5S/c1-12(2,20-14-18)5-13-10(15)8-6-3-4-7(19-6)9(8)11(16)17/h3-4,6-9H,5H2,1-2H3,(H,13,15)(H,16,17)