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

Systemtic Name: (4-methoxyphenyl)methyl 7-benzamido-3-methyl-8-oxidanylidene-4-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 7-benzamido-4-isopropoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-benzamido-3-methyl-8-oxo-4-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 7-benzamido-3-methyl-8-oxo-4-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-benzamido-4-isopropoxy-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3)SC1OC(C)C)C(=O)OCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3)SC1OC(C)C)C(=O)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H28N2O6S/c1-15(2)34-26-16(3)21(25(31)33-14-17-10-12-19(32-4)13-11-17)28-23(30)20(24(28)35-26)27-22(29)18-8-6-5-7-9-18/h5-13,15,20,24,26H,14H2,1-4H3,(H,27,29)