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

Systemtic Name: 8-oxidanylidene-3-(pyrazin-2-ylsulfanylmethyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-(pyrazin-2-ylsulfanylmethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-[(2-pyrazinylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-(pyrazin-2-ylsulfanylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[(pyrazin-2-ylthio)methyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H16N4O4S3 MolecularWeight: 448.53904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)CSC4=NC=CN=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)CSC4=NC=CN=C4

InChI

InChI=1S/C18H16N4O4S3/c23-12(6-11-2-1-5-27-11)21-14-16(24)22-15(18(25)26)10(9-29-17(14)22)8-28-13-7-19-3-4-20-13/h1-5,7,14,17H,6,8-9H2,(H,21,23)(H,25,26)