pyrrolidin-3-ylsulfanyl (5S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: pyrrolidin-3-ylsulfanyl (5S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: pyrrolidin-3-ylsulfanyl (5S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (3-pyrrolidinylthio) ester IUPAC Name: pyrrolidin-3-ylsulfanyl (5S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (pyrrolidin-3-ylthio) ester Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)C(C)O)C(=O)OSC3CCNC3

Isomeric SMILES

CC1C=C(N2[C@@H]1C(C2=O)[C@@H](C)O)C(=O)OSC3CCNC3

InChI

InChI=1S/C14H20N2O4S/c1-7-5-10(14(19)20-21-9-3-4-15-6-9)16-12(7)11(8(2)17)13(16)18/h5,7-9,11-12,15,17H,3-4,6H2,1-2H3/t7?,8-,9?,11?,12+/m1/s1