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

Systemtic Name: 7-methoxy-8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Openeye Name: 7-[(3-hydroxy-3-oxo-2-phenyl-propanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid CAS Name: 7-[(3-hydroxy-1,3-dioxo-2-phenylpropyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid IUPAC Name: 7-[(3-hydroxy-3-oxo-2-phenylpropanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Traditional Name: 7-[(3-hydroxy-3-keto-2-phenyl-propanoyl)amino]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Formula: C18H16N2O9S MolecularWeight: 436.39264

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)C(=O)O)C(=O)O)NC(=O)C(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)C(=O)O)C(=O)O)NC(=O)C(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H16N2O9S/c1-29-18(19-12(21)10(14(24)25)8-5-3-2-4-6-8)16(28)20-11(15(26)27)9(13(22)23)7-30-17(18)20/h2-6,10,17H,7H2,1H3,(H,19,21)(H,22,23)(H,24,25)(H,26,27)