3-[6-(methylcarbamoyl)piperidin-3-yl]-7-oxidanylidene-6-sulfanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[6-(methylcarbamoyl)piperidin-3-yl]-7-oxidanylidene-6-sulfanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[6-(methylcarbamoyl)-3-piperidyl]-7-oxo-6-thioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[6-(methylcarbamoyl)-3-piperidinyl]-7-oxo-6-sulfanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[6-(methylcarbamoyl)piperidin-3-yl]-7-oxo-6-sulfanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-3-[6-(methylcarbamoyl)-3-piperidyl]-6-thioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCC(CN1)C2=C(N3C(C2)C(=S)C3=O)C(=O)O

Isomeric SMILES

CNC(=O)C1CCC(CN1)C2=C(N3C(C2)C(=S)C3=O)C(=O)O

InChI

InChI=1S/C14H17N3O4S/c1-15-12(18)8-3-2-6(5-16-8)7-4-9-11(22)13(19)17(9)10(7)14(20)21/h6,8-9,16H,2-5H2,1H3,(H,15,18)(H,20,21)