3-[(1-butoxy-5-methyl-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-butoxy-5-methyl-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-butoxy-5-methyl-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-butoxy-5-methyl-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-butoxy-5-methyl-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-butoxy-2-keto-5-methyl-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: C23H26N4O6S3 MolecularWeight: 550.67074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCON1C=C(C(=NC1=O)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O)C

Isomeric SMILES

CCCCON1C=C(C(=NC1=O)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O)C

InChI

InChI=1S/C23H26N4O6S3/c1-3-4-7-33-26-10-13(2)19(25-23(26)32)35-11-14-12-36-21-17(20(29)27(21)18(14)22(30)31)24-16(28)9-15-6-5-8-34-15/h5-6,8,10,17,21H,3-4,7,9,11-12H2,1-2H3,(H,24,28)(H,30,31)