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

Systemtic Name: tert-butyl 8-oxidanylidene-7-[(3-propoxyphenyl)carbonylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 8-oxo-7-[(3-propoxybenzoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[[oxo-(3-propoxyphenyl)methyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-oxo-7-[(3-propoxybenzoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(3-propoxybenzoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)OC(C)(C)C

InChI

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