tert-butyl (6R,7R)-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-4-propoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl (6R,7R)-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-4-propoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-4-propoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-4-propoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-4-propoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-4-propoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C(=C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCOC1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C23H30N2O6S/c1-6-12-29-22-14(2)18(21(28)31-23(3,4)5)25-19(27)17(20(25)32-22)24-16(26)13-30-15-10-8-7-9-11-15/h7-11,17,20,22H,6,12-13H2,1-5H3,(H,24,26)/t17-,20-,22?/m1/s1