7-(butanoylamino)-8-oxidanylidene-3-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(butanoylamino)-8-oxidanylidene-3-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(butanoylamino)-8-oxo-3-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-(1-oxobutylamino)-3-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(butanoylamino)-8-oxo-3-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-butyramido-8-keto-3-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2C(C(C2=O)NC(=O)CCC)SC1)C(=O)O

Isomeric SMILES

CCCC1=C(N2C(C(C2=O)NC(=O)CCC)SC1)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-3-5-8-7-21-13-10(15-9(17)6-4-2)12(18)16(13)11(8)14(19)20/h10,13H,3-7H2,1-2H3,(H,15,17)(H,19,20)