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

Systemtic Name: (4-methoxyphenyl)methyl 7-acetamido-3-isocyanato-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-acetamido-3-isocyanato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-acetamido-3-isocyanato-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-acetamido-3-isocyanato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-acetamido-3-isocyanato-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(=C(CS2)N=C=O)C(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(=C(CS2)N=C=O)C(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17N3O6S/c1-10(23)20-14-16(24)21-15(13(19-9-22)8-28-17(14)21)18(25)27-7-11-3-5-12(26-2)6-4-11/h3-6,14,17H,7-8H2,1-2H3,(H,20,23)