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

Systemtic Name: 3-(4-azanylcyclohexyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(4-aminocyclohexyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(4-aminocyclohexyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(4-aminocyclohexyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(4-aminocyclohexyl)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)C3CCC(CC3)N)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)C3CCC(CC3)N)C(=O)O)O

InChI

InChI=1S/C14H20N2O4S/c1-6(17)9-12(18)16-10(14(19)20)11(21-13(9)16)7-2-4-8(15)5-3-7/h6-9,13,17H,2-5,15H2,1H3,(H,19,20)