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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(CC1)C2CC(CN2)SC3C4CC=C(N4C3=O)C(=O)O

Isomeric SMILES

CN1CCCC(CC1)C2CC(CN2)SC3C4CC=C(N4C3=O)C(=O)O

InChI

InChI=1S/C18H27N3O3S/c1-20-7-2-3-11(6-8-20)13-9-12(10-19-13)25-16-14-4-5-15(18(23)24)21(14)17(16)22/h5,11-14,16,19H,2-4,6-10H2,1H3,(H,23,24)