(4-methoxyphenyl)methyl (6S,7R)-7-benzamido-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6S,7R)-7-benzamido-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6S,7R)-7-benzamido-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (6S,7R)-7-benzamido-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6S,7R)-7-benzamido-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (6S,7R)-7-benzamido-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid p-anisyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2C(=C)CSC3N2C(=O)C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2C(=C)CS[C@@H]3N2C(=O)[C@H]3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O5S/c1-14-13-31-22-18(24-20(26)16-6-4-3-5-7-16)21(27)25(22)19(14)23(28)30-12-15-8-10-17(29-2)11-9-15/h3-11,18-19,22H,1,12-13H2,2H3,(H,24,26)/t18-,19?,22+/m1/s1