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

Systemtic Name: (4-methoxyphenyl)methyl 7-azanyl-3-(cyanomethylsulfanyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-amino-3-(cyanomethylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(cyanomethylthio)-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-amino-3-(cyanomethylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-(cyanomethylthio)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N)SCC#N

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N)SCC#N

InChI

InChI=1S/C17H17N3O4S2/c1-23-11-4-2-10(3-5-11)8-24-17(22)14-12(25-7-6-18)9-26-16-13(19)15(21)20(14)16/h2-5,13,16H,7-9,19H2,1H3