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

Systemtic Name: 3-ethenyl-3-methyl-6-(2-oxidanylidenepropyl)-6-phenyl-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-acetonyl-3-methyl-6-phenyl-7-thioxo-3-vinyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3-ethenyl-3-methyl-6-(2-oxopropyl)-6-phenyl-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3-ethenyl-3-methyl-6-(2-oxopropyl)-6-phenyl-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-acetonyl-3-methyl-6-phenyl-7-thioxo-3-vinyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H19NO3S2 MolecularWeight: 361.47836

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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

Isomeric SMILES

CC(=O)CC1(C2N(C1=S)C(C(S2)(C)C=C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO3S2/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/h4-9,13,16H,1,10H2,2-3H3,(H,21,22)