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

Systemtic Name: 3-ethanoyl-7-[(2-methanoyloxy-2-phenyl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-acetyl-7-[(2-formyloxy-2-phenyl-acetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-acetyl-7-[(2-formyloxy-1-oxo-2-phenylethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-acetyl-7-[(2-formyloxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-acetyl-7-[(2-formyloxy-2-phenyl-acetyl)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)OC=O)SC1)C(=O)O

Isomeric SMILES

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

InChI

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