4-ethoxy-9-oxidanylidene-8-(2-thiophen-2-ylethanoylamino)-6-thia-1,3-diazabicyclo[5.2.0]non-3-ene-2-carboxylic acid

Systemtic Name: 4-ethoxy-9-oxidanylidene-8-(2-thiophen-2-ylethanoylamino)-6-thia-1,3-diazabicyclo[5.2.0]non-3-ene-2-carboxylic acid Openeye Name: 4-ethoxy-9-oxo-8-[[2-(2-thienyl)acetyl]amino]-6-thia-1,3-diazabicyclo[5.2.0]non-3-ene-2-carboxylic acid CAS Name: 4-ethoxy-9-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-6-thia-1,3-diazabicyclo[5.2.0]non-3-ene-2-carboxylic acid IUPAC Name: 4-ethoxy-9-oxo-8-[(2-thiophen-2-ylacetyl)amino]-6-thia-1,3-diazabicyclo[5.2.0]non-3-ene-2-carboxylic acid Traditional Name: 4-ethoxy-9-keto-8-[[2-(2-thienyl)acetyl]amino]-6-thia-1,3-diazabicyclo[5.2.0]non-3-ene-2-carboxylic acid Formula: C15H17N3O5S2 MolecularWeight: 383.44258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O

Isomeric SMILES

CCOC1=NC(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O

InChI

InChI=1S/C15H17N3O5S2/c1-2-23-10-7-25-14-11(13(20)18(14)12(17-10)15(21)22)16-9(19)6-8-4-3-5-24-8/h3-5,11-12,14H,2,6-7H2,1H3,(H,16,19)(H,21,22)