3-[(1-ethyl-6-methyl-4-oxidanylidene-pyrimidin-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-[(1-ethyl-6-methyl-4-oxidanylidene-pyrimidin-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-[(1-ethyl-6-methyl-4-oxo-pyrimidin-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-[[(1-ethyl-6-methyl-4-oxo-2-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-6-methyl-4-oxopyrimidin-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-[[(1-ethyl-4-keto-6-methyl-pyrimidin-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: C21H22N4O5S3 MolecularWeight: 506.61818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=O)N=C1SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O)C

Isomeric SMILES

CCN1C(=CC(=O)N=C1SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O)C

InChI

InChI=1S/C21H22N4O5S3/c1-3-24-11(2)7-14(26)23-21(24)33-10-12-9-32-19-16(18(28)25(19)17(12)20(29)30)22-15(27)8-13-5-4-6-31-13/h4-7,16,19H,3,8-10H2,1-2H3,(H,22,27)(H,29,30)