7-(2-cyclohexa-1,4-dien-1-ylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid

Systemtic Name: 7-(2-cyclohexa-1,4-dien-1-ylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Openeye Name: 7-[(2-cyclohexa-1,4-dien-1-ylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid CAS Name: 7-[[2-(1-cyclohexa-1,4-dienyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid IUPAC Name: 7-[(2-cyclohexa-1,4-dien-1-ylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Traditional Name: 7-[(2-cyclohexa-1,4-dien-1-ylacetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(=C1)CC(=O)NC2C3N(C2=O)C(=C(CS3)C(=O)O)C(=O)O

Isomeric SMILES

C1C=CCC(=C1)CC(=O)NC2C3N(C2=O)C(=C(CS3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H16N2O6S/c19-10(6-8-4-2-1-3-5-8)17-11-13(20)18-12(16(23)24)9(15(21)22)7-25-14(11)18/h1-2,5,11,14H,3-4,6-7H2,(H,17,19)(H,21,22)(H,23,24)