2-methoxycarbonyloxypropan-2-yl 3,3-dimethyl-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 2-methoxycarbonyloxypropan-2-yl 3,3-dimethyl-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (1-methoxycarbonyloxy-1-methyl-ethyl) 6-(benzyloxycarbonylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-methoxycarbonyloxypropan-2-yl ester IUPAC Name: 2-methoxycarbonyloxypropan-2-yl 3,3-dimethyl-7-oxo-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(benzyloxycarbonylamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (1-carbomethoxyoxy-1-methyl-ethyl) ester Formula: C21H26N2O8S MolecularWeight: 466.50474

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)OC(=O)OC)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)OC(=O)OC)C

InChI

InChI=1S/C21H26N2O8S/c1-20(2)14(17(25)30-21(3,4)31-19(27)28-5)23-15(24)13(16(23)32-20)22-18(26)29-11-12-9-7-6-8-10-12/h6-10,13-14,16H,11H2,1-5H3,(H,22,26)