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

Systemtic Name: 7-oxidanylidene-6-[5-(phenoxymethyl)pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 7-oxo-6-[5-(phenoxymethyl)pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 7-oxo-6-[[5-(phenoxymethyl)-3-pyrrolidinyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 7-oxo-6-[5-(phenoxymethyl)pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-6-[[5-(phenoxymethyl)pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C1C(C2=O)SC3CC(NC3)COC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C=C(N2C1C(C2=O)SC3CC(NC3)COC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C18H20N2O4S/c21-17-16(14-6-7-15(18(22)23)20(14)17)25-13-8-11(19-9-13)10-24-12-4-2-1-3-5-12/h1-5,7,11,13-14,16,19H,6,8-10H2,(H,22,23)