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

Systemtic Name: octyl 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(2-oxidanylidenepyrrolidin-3-yl)sulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C22H36N2O5S MolecularWeight: 440.59664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O5S/c1-4-5-6-7-8-9-12-29-22(28)18-19(30-15-10-11-23-20(15)26)13(2)17-16(14(3)25)21(27)24(17)18/h13-19,25H,4-12H2,1-3H3,(H,23,26)