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

Systemtic Name: (4-methoxyphenyl)methyl 3-(acetyloxymethyl)-7-azido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 3-(acetoxymethyl)-7-azido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-azido-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-(acetyloxymethyl)-7-azido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-azido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)N=[N+]=[N-])SC1)C(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)N=[N+]=[N-])SC1)C(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18N4O6S/c1-10(23)27-8-12-9-29-17-14(20-21-19)16(24)22(17)15(12)18(25)28-7-11-3-5-13(26-2)6-4-11/h3-6,14,17H,7-9H2,1-2H3