2-methylbut-3-en-2-yl 7-acetamido-7-methoxy-8-oxidanylidene-3-[oxidanyl(phenyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: 2-methylbut-3-en-2-yl 7-acetamido-7-methoxy-8-oxidanylidene-3-[oxidanyl(phenyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: 1,1-dimethylallyl 7-acetamido-3-[hydroxy(phenyl)methyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 7-acetamido-3-[hydroxy(phenyl)methyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid 2-methylbut-3-en-2-yl ester IUPAC Name: 2-methylbut-3-en-2-yl 7-acetamido-3-[hydroxy(phenyl)methyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 7-acetamido-3-[hydroxy(phenyl)methyl]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid 1,1-dimethylallyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C2N(C1=O)C(C(=CS2)C(C3=CC=CC=C3)O)C(=O)OC(C)(C)C=C)OC

Isomeric SMILES

CC(=O)NC1(C2N(C1=O)C(C(=CS2)C(C3=CC=CC=C3)O)C(=O)OC(C)(C)C=C)OC

InChI

InChI=1S/C22H26N2O6S/c1-6-21(3,4)30-18(27)16-15(17(26)14-10-8-7-9-11-14)12-31-20-22(29-5,23-13(2)25)19(28)24(16)20/h6-12,16-17,20,26H,1H2,2-5H3,(H,23,25)