3-methanoyl-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methanoyl-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-formyl-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-formyl-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-formyl-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-formyl-8-keto-7-methoxy-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H14N2O6S2 MolecularWeight: 382.41146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)C=O)C(=O)O)NC(=O)CC3=CC=CS3

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)C=O)C(=O)O)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C15H14N2O6S2/c1-23-15(16-10(19)5-9-3-2-4-24-9)13(22)17-11(12(20)21)8(6-18)7-25-14(15)17/h2-4,6,14H,5,7H2,1H3,(H,16,19)(H,20,21)