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

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C16H17N2O5S- MolecularWeight: 349.38158

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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)[O-])C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)OCC3=CC=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C16H18N2O5S/c1-16(2)11(14(20)21)18-12(19)10(13(18)24-16)17-15(22)23-8-9-6-4-3-5-7-9/h3-7,10-11,13H,8H2,1-2H3,(H,17,22)(H,20,21)/p-1