3-ethanoyl-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-ethanoyl-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: 3-acetyl-7-[(3-hydroxy-3-oxo-2-phenyl-propanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-acetyl-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-acetyl-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: 3-acetyl-7-[(3-hydroxy-3-keto-2-phenyl-propanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)SC1)C(=O)O

Isomeric SMILES

CC(=O)C1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)SC1)C(=O)O

InChI

InChI=1S/C18H16N2O7S/c1-8(21)10-7-28-16-12(15(23)20(16)13(10)18(26)27)19-14(22)11(17(24)25)9-5-3-2-4-6-9/h2-6,11-12,16H,7H2,1H3,(H,19,22)(H,24,25)(H,26,27)