3-[(1-methoxy-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-methoxy-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-methoxy-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-methoxy-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-methoxy-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: 8-keto-3-[[(2-keto-1-methoxy-pyrimidin-4-yl)thio]methyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H18N4O6S3 MolecularWeight: 494.56442

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Descriptors Computed from Structure

Canonical SMILES:

CON1C=CC(=NC1=O)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

Isomeric SMILES

CON1C=CC(=NC1=O)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

InChI

InChI=1S/C19H18N4O6S3/c1-29-22-5-4-13(21-19(22)28)31-8-10-9-32-17-14(16(25)23(17)15(10)18(26)27)20-12(24)7-11-3-2-6-30-11/h2-6,14,17H,7-9H2,1H3,(H,20,24)(H,26,27)