2,2-dimethylpropanoic acid; 6-ethanoyl-3-ethenyl-3-methyl-6-(2-oxidanylidenepropyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoic acid; 6-ethanoyl-3-ethenyl-3-methyl-6-(2-oxidanylidenepropyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 6-acetonyl-6-acetyl-3-methyl-7-thioxo-3-vinyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 2,2-dimethylpropanoic acid CAS Name: 6-acetyl-3-ethenyl-3-methyl-6-(2-oxopropyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 2,2-dimethylpropanoic acid IUPAC Name: 6-acetyl-3-ethenyl-3-methyl-6-(2-oxopropyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 2,2-dimethylpropanoic acid Traditional Name: 6-acetonyl-6-acetyl-3-methyl-7-thioxo-3-vinyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 2,2-dimethylpropionic acid Formula: C19H26NO6S2- MolecularWeight: 428.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(C2N(C1=S)C(C(S2)(C)C=C)C(=O)[O-])C(=O)C.CC(C)(C)C(=O)O

Isomeric SMILES

CC(=O)CC1(C2N(C1=S)C(C(S2)(C)C=C)C(=O)[O-])C(=O)C.CC(C)(C)C(=O)O

InChI

InChI=1S/C14H17NO4S2.C5H10O2/c1-5-13(4)9(10(18)19)15-11(20)14(8(3)17,6-7(2)16)12(15)21-13;1-5(2,3)4(6)7/h5,9,12H,1,6H2,2-4H3,(H,18,19);1-3H3,(H,6,7)/p-1