6-ethoxy-3,3-dimethyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-ethoxy-3,3-dimethyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-ethoxy-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-ethoxy-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-ethoxy-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-ethoxy-7-keto-3,3-dimethyl-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O6S/c1-4-26-18(19-12(21)10-25-11-8-6-5-7-9-11)15(24)20-13(14(22)23)17(2,3)27-16(18)20/h5-9,13,16H,4,10H2,1-3H3,(H,19,21)(H,22,23)