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

Systemtic Name: 7-oxidanylidene-3-(6-piperazin-1-ylcarbonylpiperidin-3-yl)-6-sulfanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 7-oxo-3-[6-(piperazine-1-carbonyl)-3-piperidyl]-6-thioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 7-oxo-3-[6-[oxo(1-piperazinyl)methyl]-3-piperidinyl]-6-sulfanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 7-oxo-3-[6-(piperazine-1-carbonyl)piperidin-3-yl]-6-sulfanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-3-[6-(piperazine-1-carbonyl)-3-piperidyl]-6-thioxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NCC1C2=C(N3C(C2)C(=S)C3=O)C(=O)O)C(=O)N4CCNCC4

Isomeric SMILES

C1CC(NCC1C2=C(N3C(C2)C(=S)C3=O)C(=O)O)C(=O)N4CCNCC4

InChI

InChI=1S/C17H22N4O4S/c22-15(20-5-3-18-4-6-20)11-2-1-9(8-19-11)10-7-12-14(26)16(23)21(12)13(10)17(24)25/h9,11-12,18-19H,1-8H2,(H,24,25)