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

Systemtic Name: (4-methoxyphenyl)methyl 7-azanyl-8-oxidanylidene-3-piperidin-1-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-amino-8-oxo-3-(1-piperidyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-(1-piperidinyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 7-amino-8-oxo-3-piperidin-1-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-piperidino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N)N4CCCCC4

InChI

InChI=1S/C20H25N3O4S/c1-26-14-7-5-13(6-8-14)11-27-20(25)17-15(22-9-3-2-4-10-22)12-28-19-16(21)18(24)23(17)19/h5-8,16,19H,2-4,9-12,21H2,1H3