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

Systemtic Name: 3-(1-ethanimidoylpiperidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[(1-ethanimidoyl-3-piperidyl)sulfanyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-3-[[1-(1-iminoethyl)-3-piperidinyl]thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-ethanimidoylpiperidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(1-acetimidoyl-3-piperidyl)thio]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H21N3O4S2 MolecularWeight: 371.47494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SC3CCCN(C3)C(=N)C)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SC3CCCN(C3)C(=N)C)C(=O)O)O

InChI

InChI=1S/C15H21N3O4S2/c1-7(19)10-12(20)18-11(14(21)22)15(24-13(10)18)23-9-4-3-5-17(6-9)8(2)16/h7,9-10,13,16,19H,3-6H2,1-2H3,(H,21,22)