(7-methanethioyl-8-oxidanylidene-3,7-diphenyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl) methyl carbonate

Systemtic Name: (7-methanethioyl-8-oxidanylidene-3,7-diphenyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl) methyl carbonate Openeye Name: (7-methanethioyl-8-oxo-3,7-diphenyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl) methyl carbonate CAS Name: carbonic acid (7-methanethioyl-8-oxo-3,7-diphenyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl) methyl ester IUPAC Name: (7-methanethioyl-8-oxo-3,7-diphenyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl) methyl carbonate Traditional Name: carbonic acid (8-keto-3,7-diphenyl-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl) methyl ester Formula: C21H17NO4S2 MolecularWeight: 411.49398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=C(CSC2N1C(=O)C2(C=S)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)OC1=C(CSC2N1C(=O)C2(C=S)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17NO4S2/c1-25-20(24)26-17-16(14-8-4-2-5-9-14)12-28-19-21(13-27,18(23)22(17)19)15-10-6-3-7-11-15/h2-11,13,19H,12H2,1H3