tert-butyl 7-azanyl-8-oxidanylidene-3-(propan-2-yloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-azanyl-8-oxidanylidene-3-(propan-2-yloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-amino-3-(isopropoxycarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-[[oxo(propan-2-yloxy)methyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-amino-8-oxo-3-(propan-2-yloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-(isopropoxycarbonylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C15H23N3O5S MolecularWeight: 357.42522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)OC(=O)NC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C15H23N3O5S/c1-7(2)22-14(21)17-8-6-24-12-9(16)11(19)18(12)10(8)13(20)23-15(3,4)5/h7,9,12H,6,16H2,1-5H3,(H,17,21)