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

Systemtic Name: heptyl 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(2-oxidanylidenepyrrolidin-3-yl)sulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: heptyl 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(2-oxopyrrolidin-3-yl)sulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[(2-oxo-3-pyrrolidinyl)thio]-1-azabicyclo[3.2.0]heptane-2-carboxylic acid heptyl ester IUPAC Name: heptyl 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(2-oxopyrrolidin-3-yl)sulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[(2-ketopyrrolidin-3-yl)thio]-4-methyl-1-azabicyclo[3.2.0]heptane-2-carboxylic acid heptyl ester Formula: C21H34N2O5S MolecularWeight: 426.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1C(C(C2N1C(=O)C2C(C)O)C)SC3CCNC3=O

Isomeric SMILES

CCCCCCCOC(=O)C1C(C(C2N1C(=O)C2C(C)O)C)SC3CCNC3=O

InChI

InChI=1S/C21H34N2O5S/c1-4-5-6-7-8-11-28-21(27)17-18(29-14-9-10-22-19(14)25)12(2)16-15(13(3)24)20(26)23(16)17/h12-18,24H,4-11H2,1-3H3,(H,22,25)