3-[(5-chloranyl-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-[(5-chloranyl-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-[(5-chloro-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-[[(5-chloro-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-[(5-chloro-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-[[(5-chloro-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: C20H19ClN4O5S3 MolecularWeight: 527.03666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O5S3/c1-2-24-7-12(21)16(23-20(24)30)32-8-10-9-33-18-14(17(27)25(18)15(10)19(28)29)22-13(26)6-11-4-3-5-31-11/h3-5,7,14,18H,2,6,8-9H2,1H3,(H,22,26)(H,28,29)