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

Systemtic Name: 3-(4-azanylidene-1-methylsulfanyl-pentan-3-yl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-3-[2-imino-1-(2-methylsulfanylethyl)propyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-3-[4-imino-1-(methylthio)pentan-3-yl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-3-(4-imino-1-methylsulfanylpentan-3-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-3-[2-imino-1-[2-(methylthio)ethyl]propyl]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H20N2O4S2 MolecularWeight: 344.4496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S2/c1-6(15)8(4-5-21-3)11-10(14(19)20)16-12(18)9(7(2)17)13(16)22-11/h7-9,13,15,17H,4-5H2,1-3H3,(H,19,20)