3-[(4-ethyl-3-oxidanylidene-pyrazin-2-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(4-ethyl-3-oxidanylidene-pyrazin-2-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(4-ethyl-3-oxo-pyrazin-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(4-ethyl-3-oxo-2-pyrazinyl)thio]methyl]-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-[(4-ethyl-3-oxopyrazin-2-yl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[(4-ethyl-3-keto-pyrazin-2-yl)thio]methyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H20N4O5S3 MolecularWeight: 492.5916

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C(C1=O)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

Isomeric SMILES

CCN1C=CN=C(C1=O)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

InChI

InChI=1S/C20H20N4O5S3/c1-2-23-6-5-21-16(18(23)27)31-9-11-10-32-19-14(17(26)24(19)15(11)20(28)29)22-13(25)8-12-4-3-7-30-12/h3-7,14,19H,2,8-10H2,1H3,(H,22,25)(H,28,29)