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

Systemtic Name: tert-butyl 3-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-(tert-butoxycarbonylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(tert-butoxycarbonylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C17H26N2O5S MolecularWeight: 370.46374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)OC(C)(C)C)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)OC(C)(C)C)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H26N2O5S/c1-9-8-25-13-10(18-15(22)24-17(5,6)7)12(20)19(13)11(9)14(21)23-16(2,3)4/h10,13H,8H2,1-7H3,(H,18,22)