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

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-(2-pyrrolidin-1-ylethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-(2-pyrrolidin-1-ylethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[2-(1-pyrrolidinyl)ethylthio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-(2-pyrrolidin-1-ylethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(2-pyrrolidinoethylthio)-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)SCCN3CCCC3)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCCN3CCCC3)C(=O)O)O

InChI

InChI=1S/C14H20N2O4S2/c1-8(17)9-11(18)16-10(13(19)20)14(22-12(9)16)21-7-6-15-4-2-3-5-15/h8-9,12,17H,2-7H2,1H3,(H,19,20)