(4-methoxyphenyl)methyl 7-azido-7-methoxy-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 7-azido-7-methoxy-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-azido-7-methoxy-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-azido-7-methoxy-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 7-azido-7-methoxy-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-azido-8-keto-7-methoxy-3-(methoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(N2C(C(C2=O)(N=[N+]=[N-])OC)SC1)C(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

COCC1=C(N2C(C(C2=O)(N=[N+]=[N-])OC)SC1)C(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H20N4O6S/c1-25-9-12-10-29-17-18(27-3,20-21-19)16(24)22(17)14(12)15(23)28-8-11-4-6-13(26-2)7-5-11/h4-7,17H,8-10H2,1-3H3