[(2-methylpropan-2-yl)oxycarbonyl-(2-phenoxyethanoyl)amino] 3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [(2-methylpropan-2-yl)oxycarbonyl-(2-phenoxyethanoyl)amino] 3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [tert-butoxycarbonyl-(2-phenoxyacetyl)amino] 3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2-methylpropan-2-yl)oxy-oxomethyl]-(1-oxo-2-phenoxyethyl)amino] ester IUPAC Name: [(2-methylpropan-2-yl)oxycarbonyl-(2-phenoxyacetyl)amino] 3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [tert-butoxycarbonyl-(2-phenoxyacetyl)amino] ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(CC2=O)SC1)C(=O)ON(C(=O)COC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N2C(CC2=O)SC1)C(=O)ON(C(=O)COC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H24N2O7S/c1-13-12-31-17-10-15(24)22(17)18(13)19(26)30-23(20(27)29-21(2,3)4)16(25)11-28-14-8-6-5-7-9-14/h5-9,17H,10-12H2,1-4H3