8-oxidanylidene-3-(2-phenylprop-2-enoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-3-(2-phenylprop-2-enoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-(2-phenylprop-2-enoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-3-[(1-oxo-2-phenylprop-2-enyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-(2-phenylprop-2-enoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(atropoylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CC=C1)C(=O)NC2=C(N3C(CC3=O)SC2)C(=O)O

Isomeric SMILES

C=C(C1=CC=CC=C1)C(=O)NC2=C(N3C(CC3=O)SC2)C(=O)O

InChI

InChI=1S/C16H14N2O4S/c1-9(10-5-3-2-4-6-10)15(20)17-11-8-23-13-7-12(19)18(13)14(11)16(21)22/h2-6,13H,1,7-8H2,(H,17,20)(H,21,22)