(4-methoxyphenyl)methyl (5R,6E)-3-(2-acetamidoethylsulfanyl)-7-oxidanylidene-6-(1-oxidanylpropan-2-ylidene)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (5R,6E)-3-(2-acetamidoethylsulfanyl)-7-oxidanylidene-6-(1-oxidanylpropan-2-ylidene)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (5R,6E)-3-(2-acetamidoethylsulfanyl)-6-(2-hydroxy-1-methyl-ethylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5R,6E)-3-(2-acetamidoethylthio)-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (5R,6E)-3-(2-acetamidoethylsulfanyl)-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5R,6E)-3-(2-acetamidoethylthio)-6-(2-hydroxy-1-methyl-ethylidene)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid p-anisyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)OC)SCCNC(=O)C)CO

Isomeric SMILES

C/C(=C\1/[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)OC)SCCNC(=O)C)/CO

InChI

InChI=1S/C22H26N2O6S/c1-13(11-25)19-17-10-18(31-9-8-23-14(2)26)20(24(17)21(19)27)22(28)30-12-15-4-6-16(29-3)7-5-15/h4-7,17,25H,8-12H2,1-3H3,(H,23,26)/b19-13+/t17-/m1/s1