7-cyclohexa-1,4-dien-1-yl-8-oxidanylidene-4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-cyclohexa-1,4-dien-1-yl-8-oxidanylidene-4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-cyclohexa-1,4-dien-1-yl-4-[(3-hydroxy-3-oxo-propanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(1-cyclohexa-1,4-dienyl)-4-[(3-hydroxy-1,3-dioxopropyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-cyclohexa-1,4-dien-1-yl-4-[(3-hydroxy-3-oxopropanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-cyclohexa-1,4-dien-1-yl-4-[(3-hydroxy-3-keto-propanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(=C1)C2C3N(C2=O)C(=CC(S3)NC(=O)CC(=O)O)C(=O)O

Isomeric SMILES

C1C=CCC(=C1)C2C3N(C2=O)C(=CC(S3)NC(=O)CC(=O)O)C(=O)O

InChI

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