7-azanyl-7-methoxy-3-(2-methylpropanoyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-7-methoxy-3-(2-methylpropanoyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-7-methoxy-3-(2-methylpropanoyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-7-methoxy-3-(2-methyl-1-oxopropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-7-methoxy-3-(2-methylpropanoyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-isobutyryl-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=C(N2C(C(C2=O)(N)OC)SC1)C(=O)O

Isomeric SMILES

CC(C)C(=O)C1=C(N2C(C(C2=O)(N)OC)SC1)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-5(2)8(15)6-4-20-11-12(13,19-3)10(18)14(11)7(6)9(16)17/h5,11H,4,13H2,1-3H3,(H,16,17)