7-azanyl-3-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-(4-hydroxy-3,5-dimethoxy-benzyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H18N2O6S MolecularWeight: 366.38892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C16H18N2O6S/c1-23-9-4-7(5-10(24-2)13(9)19)3-8-6-25-15-11(17)14(20)18(15)12(8)16(21)22/h4-5,11,15,19H,3,6,17H2,1-2H3,(H,21,22)