(4-methoxyphenyl)methyl (6R,7R)-7-benzamido-8-oxidanylidene-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6R,7R)-7-benzamido-8-oxidanylidene-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6R,7R)-3-allyl-7-benzamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-benzamido-8-oxo-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6R,7R)-7-benzamido-8-oxo-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-allyl-7-benzamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)C4=CC=CC=C4)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)C4=CC=CC=C4)CC=C

InChI

InChI=1S/C25H24N2O5S/c1-3-7-18-15-33-24-20(26-22(28)17-8-5-4-6-9-17)23(29)27(24)21(18)25(30)32-14-16-10-12-19(31-2)13-11-16/h3-6,8-13,20,24H,1,7,14-15H2,2H3,(H,26,28)/t20-,24-/m1/s1