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

Systemtic Name: 6-[5-(1-methylazocan-4-yl)pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[5-(1-methylazocan-4-yl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[[5-(1-methyl-4-azocanyl)-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[5-(1-methylazocan-4-yl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-6-[[5-(1-methylazocan-4-yl)pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(CC1)C2CC(CN2)SC3C4CC=C(N4C3=O)C(=O)O

Isomeric SMILES

CN1CCCCC(CC1)C2CC(CN2)SC3C4CC=C(N4C3=O)C(=O)O

InChI

InChI=1S/C19H29N3O3S/c1-21-8-3-2-4-12(7-9-21)14-10-13(11-20-14)26-17-15-5-6-16(19(24)25)22(15)18(17)23/h6,12-15,17,20H,2-5,7-11H2,1H3,(H,24,25)