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

Systemtic Name: 2,2-dimethylpropanoic acid; 3-ethenyl-3-methyl-6-(2-oxidanylidenepropyl)-6-phenyl-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 6-acetonyl-3-methyl-6-phenyl-7-thioxo-3-vinyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 2,2-dimethylpropanoic acid CAS Name: 2,2-dimethylpropanoic acid; 3-ethenyl-3-methyl-6-(2-oxopropyl)-6-phenyl-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: 2,2-dimethylpropanoic acid; 3-ethenyl-3-methyl-6-(2-oxopropyl)-6-phenyl-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-acetonyl-3-methyl-6-phenyl-7-thioxo-3-vinyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 2,2-dimethylpropionic acid Formula: C23H28NO5S2- MolecularWeight: 462.60212

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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-])C3=CC=CC=C3.CC(C)(C)C(=O)O

Isomeric SMILES

CC(=O)CC1(C2N(C1=S)C(C(S2)(C)C=C)C(=O)[O-])C3=CC=CC=C3.CC(C)(C)C(=O)O

InChI

InChI=1S/C18H19NO3S2.C5H10O2/c1-4-17(3)13(14(21)22)19-15(23)18(10-11(2)20,16(19)24-17)12-8-6-5-7-9-12;1-5(2,3)4(6)7/h4-9,13,16H,1,10H2,2-3H3,(H,21,22);1-3H3,(H,6,7)/p-1