3-(4-methylphenyl)sulfonyloxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(4-methylphenyl)sulfonyloxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-3-(p-tolylsulfonyloxy)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(4-methylphenyl)sulfonyloxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(4-methylphenyl)sulfonyloxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[[2-(2-thienyl)acetyl]amino]-3-tosyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C20H17N2O7S3- MolecularWeight: 493.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)[O-]

InChI

InChI=1S/C20H18N2O7S3/c1-11-4-6-13(7-5-11)32(27,28)29-14-10-31-19-16(18(24)22(19)17(14)20(25)26)21-15(23)9-12-3-2-8-30-12/h2-8,16,19H,9-10H2,1H3,(H,21,23)(H,25,26)/p-1