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

Systemtic Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-7-oxidanylidene-3-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-7-oxo-3-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-7-oxo-3-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-7-oxo-3-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-7-keto-3-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2C(C(=C(N2C1=O)C(=O)O)SC3CCNC3)CCCN=[N+]=[N-])O

Isomeric SMILES

CC(C1C2C(C(=C(N2C1=O)C(=O)O)SC3CCNC3)CCCN=[N+]=[N-])O

InChI

InChI=1S/C16H23N5O4S/c1-8(22)11-12-10(3-2-5-19-20-17)14(26-9-4-6-18-7-9)13(16(24)25)21(12)15(11)23/h8-12,18,22H,2-7H2,1H3,(H,24,25)