2,2-dimethylpropanoyloxymethyl 6-(1-hydroxyethyl)-7-oxidanylidene-3-piperidin-4-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 6-(1-hydroxyethyl)-7-oxidanylidene-3-piperidin-4-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 6-(1-hydroxyethyl)-7-oxo-3-(4-piperidylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(4-piperidinylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 6-(1-hydroxyethyl)-7-oxo-3-piperidin-4-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(4-piperidylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid pivaloyloxymethyl ester Formula: C19H28N2O6S2 MolecularWeight: 444.56542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SC3CCNCC3)C(=O)OCOC(=O)C(C)(C)C)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SC3CCNCC3)C(=O)OCOC(=O)C(C)(C)C)O

InChI

InChI=1S/C19H28N2O6S2/c1-10(22)12-14(23)21-13(16(24)26-9-27-18(25)19(2,3)4)17(29-15(12)21)28-11-5-7-20-8-6-11/h10-12,15,20,22H,5-9H2,1-4H3