3-tert-butyl-8-oxidanylidene-4-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-tert-butyl-8-oxidanylidene-4-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-tert-butyl-8-oxo-4-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-tert-butyl-8-oxo-4-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-tert-butyl-8-oxo-4-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-tert-butyl-8-keto-4-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N2C(CC2=O)SC1NC(=O)COC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(N2C(CC2=O)SC1NC(=O)COC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H22N2O5S/c1-19(2,3)15-16(18(24)25)21-13(23)9-14(21)27-17(15)20-12(22)10-26-11-7-5-4-6-8-11/h4-8,14,17H,9-10H2,1-3H3,(H,20,22)(H,24,25)