(4-methoxyphenyl)methyl 6-bromanyl-7-oxidanylidene-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 6-bromanyl-7-oxidanylidene-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 6-bromo-7-oxo-3-(3-pyridyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-bromo-7-oxo-3-(3-pyridinyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 6-bromo-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-bromo-7-keto-3-(3-pyridyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid p-anisyl ester Formula: C19H15BrN2O4S MolecularWeight: 447.3024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(SC3N2C(=O)C3Br)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(SC3N2C(=O)C3Br)C4=CN=CC=C4

InChI

InChI=1S/C19H15BrN2O4S/c1-25-13-6-4-11(5-7-13)10-26-19(24)15-16(12-3-2-8-21-9-12)27-18-14(20)17(23)22(15)18/h2-9,14,18H,10H2,1H3