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

Systemtic Name: 1-butoxycarbonyloxyethyl 3,3-dimethyl-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 1-butoxycarbonyloxyethyl 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 1-[butoxy(oxo)methoxy]ethyl ester IUPAC Name: 1-butoxycarbonyloxyethyl 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-butoxycarbonyloxyethyl ester Formula: C23H30N2O8S MolecularWeight: 494.5579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2NC(=O)OCC3=CC=CC=C3)(C)C

Isomeric SMILES

CCCCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2NC(=O)OCC3=CC=CC=C3)(C)C

InChI

InChI=1S/C23H30N2O8S/c1-5-6-12-30-22(29)33-14(2)32-20(27)17-23(3,4)34-19-16(18(26)25(17)19)24-21(28)31-13-15-10-8-7-9-11-15/h7-11,14,16-17,19H,5-6,12-13H2,1-4H3,(H,24,28)