6-methanethioyl-7-oxidanylidene-6-(phenoxymethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-methanethioyl-7-oxidanylidene-6-(phenoxymethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-methanethioyl-7-oxo-6-(phenoxymethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-methanethioyl-7-oxo-6-(phenoxymethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-methanethioyl-7-oxo-6-(phenoxymethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-6-(phenoxymethyl)-6-thioformyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H11NO4S2 MolecularWeight: 321.37144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2(C3N(C2=O)C(=CS3)C(=O)O)C=S

Isomeric SMILES

C1=CC=C(C=C1)OCC2(C3N(C2=O)C(=CS3)C(=O)O)C=S

InChI

InChI=1S/C14H11NO4S2/c16-11(17)10-6-21-13-14(8-20,12(18)15(10)13)7-19-9-4-2-1-3-5-9/h1-6,8,13H,7H2,(H,16,17)