(6S,7S)-8-oxidanylidene-7-(2-phenylethanoylamino)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid

Systemtic Name: (6S,7S)-8-oxidanylidene-7-(2-phenylethanoylamino)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Openeye Name: (6S,7S)-8-oxo-7-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid CAS Name: (6S,7S)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid IUPAC Name: (6S,7S)-8-oxo-7-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Traditional Name: (6S,7S)-8-keto-7-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Formula: C16H14N2O6S MolecularWeight: 362.35716

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C(S1)C(=O)O)C(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1[C@@H]2[C@@H](C(=O)N2C(=C(S1)C(=O)O)C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H14N2O6S/c19-10(6-8-4-2-1-3-5-8)17-11-9-7-25-13(16(23)24)12(15(21)22)18(9)14(11)20/h1-5,9,11H,6-7H2,(H,17,19)(H,21,22)(H,23,24)/t9-,11+/m1/s1