tert-butyl 2-[(3-acetyloxy-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl)carbonylamino]ethanoate

Systemtic Name: tert-butyl 2-[(3-acetyloxy-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl)carbonylamino]ethanoate Openeye Name: tert-butyl 2-[(3-acetoxy-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-acetyloxy-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl)-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-acetyloxy-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-acetoxy-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl)amino]acetic acid tert-butyl ester Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(N2C(C(C2=O)OC)SC1)C(=O)NCC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(N2C(C(C2=O)OC)SC1)C(=O)NCC(=O)OC(C)(C)C

InChI

InChI=1S/C16H22N2O7S/c1-8(19)24-9-7-26-15-12(23-5)14(22)18(15)11(9)13(21)17-6-10(20)25-16(2,3)4/h12,15H,6-7H2,1-5H3,(H,17,21)