(4-methoxyphenyl)methyl (6R,7R)-7-azanyl-3-[2-(chloromethyl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6R,7R)-7-azanyl-3-[2-(chloromethyl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6R,7R)-7-amino-3-[2-(chloromethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-amino-3-[[2-(chloromethyl)phenyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6R,7R)-7-amino-3-[2-(chloromethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-amino-3-[[2-(chloromethyl)phenyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C22H21ClN2O4S2 MolecularWeight: 476.99614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N)SC4=CC=CC=C4CCl

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3N)SC4=CC=CC=C4CCl

InChI

InChI=1S/C22H21ClN2O4S2/c1-28-15-8-6-13(7-9-15)11-29-22(27)19-17(12-30-21-18(24)20(26)25(19)21)31-16-5-3-2-4-14(16)10-23/h2-9,18,21H,10-12,24H2,1H3/t18-,21-/m1/s1