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

Systemtic Name: 3-(1-ethanimidoyl-4-methylsulfonyl-pyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-ethanimidoyl-4-methylsulfonyl-pyrrolidin-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)-3-[[1-(1-iminoethyl)-4-methylsulfonyl-3-pyrrolidinyl]thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-ethanimidoyl-4-methylsulfonylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(1-acetimidoyl-4-mesyl-pyrrolidin-3-yl)thio]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H21N3O6S3 MolecularWeight: 435.53874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SC3CN(CC3S(=O)(=O)C)C(=N)C)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SC3CN(CC3S(=O)(=O)C)C(=N)C)C(=O)O)O

InChI

InChI=1S/C15H21N3O6S3/c1-6(19)10-12(20)18-11(14(21)22)15(26-13(10)18)25-8-4-17(7(2)16)5-9(8)27(3,23)24/h6,8-10,13,16,19H,4-5H2,1-3H3,(H,21,22)