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

Systemtic Name: 3-(1-azanylhexyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-aminohexyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(1-aminohexyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-aminohexyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(1-aminohexyl)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O)N

Isomeric SMILES

CCCCCC(C1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O)N

InChI

InChI=1S/C14H22N2O4S/c1-3-4-5-6-8(15)11-10(14(19)20)16-12(18)9(7(2)17)13(16)21-11/h7-9,13,17H,3-6,15H2,1-2H3,(H,19,20)