O2-tert-butyl O3-[(4-methoxyphenyl)methyl] 7-azanyl-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate

Systemtic Name: O2-tert-butyl O3-[(4-methoxyphenyl)methyl] 7-azanyl-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate Openeye Name: O2-tert-butyl O3-[(4-methoxyphenyl)methyl] 7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate CAS Name: 7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid O2-tert-butyl ester O3-[(4-methoxyphenyl)methyl] ester IUPAC Name: 2-O-tert-butyl 3-O-[(4-methoxyphenyl)methyl] 7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate Traditional Name: 7-amino-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid O2-tert-butyl ester O3-p-anisyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2(N)OC)C(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2(N)OC)C(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O7S/c1-20(2,3)30-17(25)15-14(11-31-19-21(22,28-5)18(26)23(15)19)16(24)29-10-12-6-8-13(27-4)9-7-12/h6-9,19H,10-11,22H2,1-5H3