6-[5-(azocan-4-yl)pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-[5-(azocan-4-yl)pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[5-(azocan-4-yl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[[5-(4-azocanyl)-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[5-(azocan-4-yl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[[5-(azocan-4-yl)pyrrolidin-3-yl]thio]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCCC(C1)C2CC(CN2)SC3C4CC=C(N4C3=O)C(=O)O

Isomeric SMILES

C1CCNCCC(C1)C2CC(CN2)SC3C4CC=C(N4C3=O)C(=O)O

InChI

InChI=1S/C18H27N3O3S/c22-17-16(14-4-5-15(18(23)24)21(14)17)25-12-9-13(20-10-12)11-3-1-2-7-19-8-6-11/h5,11-14,16,19-20H,1-4,6-10H2,(H,23,24)