(6S)-7-(butanoylamino)-7-methoxy-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: (6S)-7-(butanoylamino)-7-methoxy-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: (6S)-7-(butanoylamino)-7-methoxy-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: (6S)-7-methoxy-3-methylene-8-oxo-7-(1-oxobutylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: (6S)-7-(butanoylamino)-7-methoxy-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: (6S)-7-butyramido-8-keto-7-methoxy-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1(C2N(C1=O)C(C(=C)CS2)C(=O)O)OC

Isomeric SMILES

CCCC(=O)NC1([C@H]2N(C1=O)C(C(=C)CS2)C(=O)O)OC

InChI

InChI=1S/C13H18N2O5S/c1-4-5-8(16)14-13(20-3)11(19)15-9(10(17)18)7(2)6-21-12(13)15/h9,12H,2,4-6H2,1,3H3,(H,14,16)(H,17,18)/t9?,12-,13?/m0/s1