pentyl 3-(1-ethanoyl-2-oxidanylidene-pyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: pentyl 3-(1-ethanoyl-2-oxidanylidene-pyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: pentyl 3-(1-acetyl-2-oxo-pyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-[(1-acetyl-2-oxo-3-pyrrolidinyl)thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid pentyl ester IUPAC Name: pentyl 3-(1-acetyl-2-oxopyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-[(1-acetyl-2-keto-pyrrolidin-3-yl)thio]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]heptane-2-carboxylic acid amyl ester Formula: C21H32N2O6S MolecularWeight: 440.55358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C(C2N1C(=O)C2C(C)O)C)SC3CCN(C3=O)C(=O)C

Isomeric SMILES

CCCCCOC(=O)C1C(C(C2N1C(=O)C2C(C)O)C)SC3CCN(C3=O)C(=O)C

InChI

InChI=1S/C21H32N2O6S/c1-5-6-7-10-29-21(28)17-18(30-14-8-9-22(13(4)25)19(14)26)11(2)16-15(12(3)24)20(27)23(16)17/h11-12,14-18,24H,5-10H2,1-4H3