6-(1-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-3-[(1-methyl-3-pyrrolidinyl)thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[(1-methylpyrrolidin-3-yl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SC3CCN(C3)C)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SC3CCN(C3)C)C(=O)O)O

InChI

InChI=1S/C13H18N2O4S2/c1-6(16)8-10(17)15-9(12(18)19)13(21-11(8)15)20-7-3-4-14(2)5-7/h6-8,11,16H,3-5H2,1-2H3,(H,18,19)