tert-butyl 8-oxidanylidene-7-[2-(4-oxidanylphenoxy)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 8-oxidanylidene-7-[2-(4-oxidanylphenoxy)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-[[2-(4-hydroxyphenoxy)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-(4-hydroxyphenoxy)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-(4-hydroxyphenoxy)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[2-(4-hydroxyphenoxy)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CCSC2N1C(=O)C2NC(=O)COC3=CC=C(C=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CCSC2N1C(=O)C2NC(=O)COC3=CC=C(C=C3)O

InChI

InChI=1S/C19H22N2O6S/c1-19(2,3)27-18(25)13-8-9-28-17-15(16(24)21(13)17)20-14(23)10-26-12-6-4-11(22)5-7-12/h4-8,15,17,22H,9-10H2,1-3H3,(H,20,23)