6-[2-(hydroxymethylamino)ethyl]-4-methyl-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-[2-(hydroxymethylamino)ethyl]-4-methyl-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[2-(hydroxymethylamino)ethyl]-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[2-(hydroxymethylamino)ethyl]-4-methyl-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[2-(hydroxymethylamino)ethyl]-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-4-methyl-6-[2-(methylolamino)ethyl]-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H23N3O4S MolecularWeight: 341.42582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(CCNCO)SC3CCNC3)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(CCNCO)SC3CCNC3)C(=O)O

InChI

InChI=1S/C15H23N3O4S/c1-9-6-11(13(20)21)18-12(9)15(14(18)22,3-5-17-8-19)23-10-2-4-16-7-10/h6,9-10,12,16-17,19H,2-5,7-8H2,1H3,(H,20,21)