3-[(1-ethyl-2-oxidanylidene-pyrimidin-4-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-[(1-ethyl-2-oxidanylidene-pyrimidin-4-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-[(1-ethyl-2-oxo-pyrimidin-4-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-[[(1-ethyl-2-oxo-4-pyrimidinyl)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-[(1-ethyl-2-oxopyrimidin-4-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-[[(1-ethyl-2-keto-pyrimidin-4-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=CC(=NC1=O)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

Isomeric SMILES

CCN1C=CC(=NC1=O)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

InChI

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