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

Systemtic Name: 6-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-6-[[1-(1-iminoethyl)-3-pyrrolidinyl]thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[(1-acetimidoylpyrrolidin-3-yl)thio]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H19N3O4S2 MolecularWeight: 357.44836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C2N(C1=O)C(=CS2)C(=O)O)SC3CCN(C3)C(=N)C)O

Isomeric SMILES

CC(C1(C2N(C1=O)C(=CS2)C(=O)O)SC3CCN(C3)C(=N)C)O

InChI

InChI=1S/C14H19N3O4S2/c1-7(18)14(23-9-3-4-16(5-9)8(2)15)12(21)17-10(11(19)20)6-22-13(14)17/h6-7,9,13,15,18H,3-5H2,1-2H3,(H,19,20)