hexyl 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: hexyl 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: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O6S/c1-5-6-7-8-11-30-22(29)18-19(31-15-9-10-23(14(4)26)20(15)27)12(2)17-16(13(3)25)21(28)24(17)18/h12-13,15-19,25H,5-11H2,1-4H3