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

Systemtic Name: 6-[5-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[5-(1-naphthylmethyl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[[5-(1-naphthalenylmethyl)-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[5-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-6-[[5-(1-naphthylmethyl)pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C1C(C2=O)SC3CC(NC3)CC4=CC=CC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1C=C(N2C1C(C2=O)SC3CC(NC3)CC4=CC=CC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C22H22N2O3S/c25-21-20(18-8-9-19(22(26)27)24(18)21)28-16-11-15(23-12-16)10-14-6-3-5-13-4-1-2-7-17(13)14/h1-7,9,15-16,18,20,23H,8,10-12H2,(H,26,27)