1-ethoxycarbonyloxyethyl 3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 1-ethoxycarbonyloxyethyl 3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-carbethoxyoxyethyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C

InChI

InChI=1S/C21H26N2O7S/c1-5-28-20(27)30-12(2)29-19(26)16-21(3,4)31-18-15(17(25)23(16)18)22-14(24)11-13-9-7-6-8-10-13/h6-10,12,15-16,18H,5,11H2,1-4H3,(H,22,24)