(4-methoxyphenyl)methyl 3-(1-acetyloxyethyl)-7-azanyl-7-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 3-(1-acetyloxyethyl)-7-azanyl-7-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 3-(1-acetoxyethyl)-7-amino-7-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(1-acetyloxyethyl)-7-amino-7-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 3-(1-acetyloxyethyl)-7-amino-7-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(1-acetoxyethyl)-7-amino-8-keto-7-(methylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N2C(C(C2=O)(N)SC)SC1)C(=O)OCC3=CC=C(C=C3)OC)OC(=O)C

Isomeric SMILES

CC(C1=C(N2C(C(C2=O)(N)SC)SC1)C(=O)OCC3=CC=C(C=C3)OC)OC(=O)C

InChI

InChI=1S/C20H24N2O6S2/c1-11(28-12(2)23)15-10-30-19-20(21,29-4)18(25)22(19)16(15)17(24)27-9-13-5-7-14(26-3)8-6-13/h5-8,11,19H,9-10,21H2,1-4H3