6-(1-hydroxyethyl)-3-[5-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-3-[5-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-3-[5-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-3-[[5-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]-3-pyrrolidinyl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-3-[5-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-[[5-(4-methylol-1,3-dioxolan-2-yl)pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4OCC(O4)CO)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4OCC(O4)CO)C(=O)O)C(C)O

InChI

InChI=1S/C18H26N2O7S/c1-7-13-12(8(2)22)16(23)20(13)14(17(24)25)15(7)28-10-3-11(19-4-10)18-26-6-9(5-21)27-18/h7-13,18-19,21-22H,3-6H2,1-2H3,(H,24,25)