(5S)-6-(1-hydroxyethyl)-7-oxidanylidene-3-piperidin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (5S)-6-(1-hydroxyethyl)-7-oxidanylidene-3-piperidin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (5S)-6-(1-hydroxyethyl)-7-oxo-3-(3-piperidyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (5S)-6-(1-hydroxyethyl)-7-oxo-3-(3-piperidinyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (5S)-6-(1-hydroxyethyl)-7-oxo-3-piperidin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (5S)-6-(1-hydroxyethyl)-7-keto-3-(3-piperidyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)C3CCCNC3)C(=O)O)O

Isomeric SMILES

CC(C1[C@H]2N(C1=O)C(=C(S2)C3CCCNC3)C(=O)O)O

InChI

InChI=1S/C13H18N2O4S/c1-6(16)8-11(17)15-9(13(18)19)10(20-12(8)15)7-3-2-4-14-5-7/h6-8,12,14,16H,2-5H2,1H3,(H,18,19)/t6?,7?,8?,12-/m0/s1