3-ethenyl-8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-ethenyl-8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(3-hydroxy-3-oxo-2-phenyl-propanoyl)amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-ethenyl-7-[(3-hydroxy-1,3-dioxo-2-phenylpropyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-ethenyl-7-[(3-hydroxy-3-oxo-2-phenylpropanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(3-hydroxy-3-keto-2-phenyl-propanoyl)amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)SC1)C(=O)O

Isomeric SMILES

C=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)SC1)C(=O)O

InChI

InChI=1S/C18H16N2O6S/c1-2-9-8-27-16-12(15(22)20(16)13(9)18(25)26)19-14(21)11(17(23)24)10-6-4-3-5-7-10/h2-7,11-12,16H,1,8H2,(H,19,21)(H,23,24)(H,25,26)