tert-butyl 7-oxidanylidene-6-(2-phenoxyethanoylamino)-3-propan-2-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-oxidanylidene-6-(2-phenoxyethanoylamino)-3-propan-2-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: tert-butyl 3-isopropyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-3-propan-2-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-oxo-6-[(2-phenoxyacetyl)amino]-3-propan-2-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-isopropyl-7-keto-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid tert-butyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1=C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26N2O5S/c1-12(2)17-16(20(26)28-21(3,4)5)23-18(25)15(19(23)29-17)22-14(24)11-27-13-9-7-6-8-10-13/h6-10,12,15,19H,11H2,1-5H3,(H,22,24)