(4-methoxyphenyl)methyl (6S)-7-benzamido-3-carbonochloridoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6S)-7-benzamido-3-carbonochloridoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6S)-7-benzamido-3-chlorocarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-7-benzamido-3-carbonochloridoyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6S)-7-benzamido-3-carbonochloridoyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-7-benzamido-3-chlorocarbonyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C23H19ClN2O6S MolecularWeight: 486.92476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)C4=CC=CC=C4)C(=O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@@H]3N2C(=O)C3NC(=O)C4=CC=CC=C4)C(=O)Cl

InChI

InChI=1S/C23H19ClN2O6S/c1-31-15-9-7-13(8-10-15)11-32-23(30)18-16(19(24)27)12-33-22-17(21(29)26(18)22)25-20(28)14-5-3-2-4-6-14/h2-10,17,22H,11-12H2,1H3,(H,25,28)/t17?,22-/m0/s1