8-oxidanylidene-4-(2-phenylprop-2-enoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-4-(2-phenylprop-2-enoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 8-oxo-4-(2-phenylprop-2-enoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 8-oxo-4-[(1-oxo-2-phenylprop-2-enyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 8-oxo-4-(2-phenylprop-2-enoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 4-(atropoylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CC=C1)C(=O)NC2CC(N3C(S2)CC3=O)C(=O)O

Isomeric SMILES

C=C(C1=CC=CC=C1)C(=O)NC2CC(N3C(S2)CC3=O)C(=O)O

InChI

InChI=1S/C16H16N2O4S/c1-9(10-5-3-2-4-6-10)15(20)17-12-7-11(16(21)22)18-13(19)8-14(18)23-12/h2-6,11-12,14H,1,7-8H2,(H,17,20)(H,21,22)