(4R,5S,6R)-6-ethyl-4-methyl-7-oxidanylidene-3-piperidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S,6R)-6-ethyl-4-methyl-7-oxidanylidene-3-piperidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6R)-6-ethyl-4-methyl-7-oxo-3-(4-piperidylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6R)-6-ethyl-4-methyl-7-oxo-3-(4-piperidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6R)-6-ethyl-4-methyl-7-oxo-3-piperidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6R)-6-ethyl-7-keto-4-methyl-3-(4-piperidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2C(C(=C(N2C1=O)C(=O)O)SC3CCNCC3)C

Isomeric SMILES

CC[C@@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)O)SC3CCNCC3)C

InChI

InChI=1S/C15H22N2O3S/c1-3-10-11-8(2)13(21-9-4-6-16-7-5-9)12(15(19)20)17(11)14(10)18/h8-11,16H,3-7H2,1-2H3,(H,19,20)/t8-,10-,11-/m1/s1