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

Systemtic Name: 3-(1-azanyl-4-methylsulfanyl-butyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-amino-4-methylsulfanyl-butyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[1-amino-4-(methylthio)butyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-amino-4-methylsulfanylbutyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[1-amino-4-(methylthio)butyl]-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:

CC(C1C2N(C1=O)C(=C(S2)C(CCCSC)N)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)C(CCCSC)N)C(=O)O)O

InChI

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