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

Systemtic Name: cyclohexylmethyl 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(2-oxidanylidenepyrrolidin-3-yl)sulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: cyclohexylmethyl 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 cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 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 cyclohexylmethyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(C1SC3CCNC3=O)C(=O)OCC4CCCCC4)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(C1SC3CCNC3=O)C(=O)OCC4CCCCC4)C(C)O

InChI

InChI=1S/C21H32N2O5S/c1-11-16-15(12(2)24)20(26)23(16)17(18(11)29-14-8-9-22-19(14)25)21(27)28-10-13-6-4-3-5-7-13/h11-18,24H,3-10H2,1-2H3,(H,22,25)