prop-2-enyl 3-methyl-5,5,8-tris(oxidanylidene)-7-(2-phenoxyethanoylamino)-4-(phenylselanylmethyl)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl 3-methyl-5,5,8-tris(oxidanylidene)-7-(2-phenoxyethanoylamino)-4-(phenylselanylmethyl)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: allyl 3-methyl-5,5,8-trioxo-7-[(2-phenoxyacetyl)amino]-4-(phenylselanylmethyl)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-5,5,8-trioxo-7-[(1-oxo-2-phenoxyethyl)amino]-4-[(phenylseleno)methyl]-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-methyl-5,5,8-trioxo-7-[(2-phenoxyacetyl)amino]-4-(phenylselanylmethyl)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 5,5,8-triketo-3-methyl-7-[(2-phenoxyacetyl)amino]-4-[(phenylseleno)methyl]-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid allyl ester Formula: C26H26N2O7SSe MolecularWeight: 589.51884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)S(=O)(=O)C1C[Se]C4=CC=CC=C4)C(=O)OCC=C

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)S(=O)(=O)C1C[Se]C4=CC=CC=C4)C(=O)OCC=C

InChI

InChI=1S/C26H26N2O7SSe/c1-3-14-34-26(31)23-17(2)20(16-37-19-12-8-5-9-13-19)36(32,33)25-22(24(30)28(23)25)27-21(29)15-35-18-10-6-4-7-11-18/h3-13,20,22,25H,1,14-16H2,2H3,(H,27,29)