7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-3-(2-phenylethanethioyl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-3-(2-phenylethanethioyl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-(tert-butoxycarbonylamino)-8-oxo-3-(2-phenylethanethioyl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-3-(2-phenyl-1-sulfanylideneethyl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-3-(2-phenylethanethioyl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(tert-butoxycarbonylamino)-8-keto-3-(2-phenylthioacetyl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H23N2O5S- MolecularWeight: 415.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2CCC(=C(N2C1=O)C(=O)[O-])C(=S)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1C2CCC(=C(N2C1=O)C(=O)[O-])C(=S)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-21(2,3)28-20(27)22-16-14-10-9-13(17(19(25)26)23(14)18(16)24)15(29)11-12-7-5-4-6-8-12/h4-8,14,16H,9-11H2,1-3H3,(H,22,27)(H,25,26)/p-1