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

Systemtic Name: 3-(1-azanyl-3-ethylsulfanyl-propyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-amino-3-ethylsulfanyl-propyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[1-amino-3-(ethylthio)propyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-amino-3-ethylsulfanylpropyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[1-amino-3-(ethylthio)propyl]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4S2/c1-3-20-5-4-7(14)10-9(13(18)19)15-11(17)8(6(2)16)12(15)21-10/h6-8,12,16H,3-5,14H2,1-2H3,(H,18,19)