(4-methoxyphenyl)methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-3-(2-oxidanylidenepropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-3-(2-oxidanylidenepropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 3-acetonyl-7-(tert-butoxycarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-3-(2-oxopropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-3-(2-oxopropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-acetonyl-7-(tert-butoxycarbonylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(N2C(C(C2=O)NC(=O)OC(C)(C)C)SC1)C(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)CC1=C(N2C(C(C2=O)NC(=O)OC(C)(C)C)SC1)C(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N2O7S/c1-13(26)10-15-12-33-20-17(24-22(29)32-23(2,3)4)19(27)25(20)18(15)21(28)31-11-14-6-8-16(30-5)9-7-14/h6-9,17,20H,10-12H2,1-5H3,(H,24,29)