3-methylidene-8-oxidanylidene-7-(2-phenoxybutanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 3-methylidene-8-oxidanylidene-7-(2-phenoxybutanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 3-methylene-8-oxo-7-(2-phenoxybutanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 3-methylene-8-oxo-7-[(1-oxo-2-phenoxybutyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 3-methylidene-8-oxo-7-(2-phenoxybutanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 8-keto-3-methylene-7-(2-phenoxybutanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1C2N(C1=O)C(C(=C)CS2)C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1C2N(C1=O)C(C(=C)CS2)C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O5S/c1-3-12(25-11-7-5-4-6-8-11)15(21)19-13-16(22)20-14(18(23)24)10(2)9-26-17(13)20/h4-8,12-14,17H,2-3,9H2,1H3,(H,19,21)(H,23,24)