7-[(3,4-dimethoxyphenyl)methyl]-2-imidazol-1-ylsulfanylcarbonyloxy-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-4-carboxylate

Systemtic Name: 7-[(3,4-dimethoxyphenyl)methyl]-2-imidazol-1-ylsulfanylcarbonyloxy-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-4-carboxylate Openeye Name: 7-[(3,4-dimethoxyphenyl)methyl]-2-imidazol-1-ylsulfanylcarbonyloxy-6-oxo-4,7-diazabicyclo[3.2.0]heptane-4-carboxylate CAS Name: 7-[(3,4-dimethoxyphenyl)methyl]-2-[(1-imidazolylthio)-oxomethoxy]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-4-carboxylate IUPAC Name: 7-[(3,4-dimethoxyphenyl)methyl]-2-imidazol-1-ylsulfanylcarbonyloxy-6-oxo-4,7-diazabicyclo[3.2.0]heptane-4-carboxylate Traditional Name: 2-(imidazol-1-ylthio)carbonyloxy-6-keto-7-veratryl-4,7-diazabicyclo[3.2.0]heptane-4-carboxylate Formula: C19H19N4O7S- MolecularWeight: 447.44176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3C(CN(C3C2=O)C(=O)[O-])OC(=O)SN4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3C(CN(C3C2=O)C(=O)[O-])OC(=O)SN4C=CN=C4)OC

InChI

InChI=1S/C19H20N4O7S/c1-28-12-4-3-11(7-13(12)29-2)8-22-15-14(9-23(18(25)26)16(15)17(22)24)30-19(27)31-21-6-5-20-10-21/h3-7,10,14-16H,8-9H2,1-2H3,(H,25,26)/p-1