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

Systemtic Name: iodanylmethyl 3,3-dimethyl-7-oxidanylidene-6-(phenylmethoxycarbonylaminomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: iodomethyl 6-(benzyloxycarbonylaminomethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-(phenylmethoxycarbonylaminomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid iodomethyl ester IUPAC Name: iodomethyl 3,3-dimethyl-7-oxo-6-(phenylmethoxycarbonylaminomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(benzyloxycarbonylaminomethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid iodomethyl ester Formula: C18H21IN2O5S MolecularWeight: 504.33921

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)CNC(=O)OCC3=CC=CC=C3)C(=O)OCI)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)CNC(=O)OCC3=CC=CC=C3)C(=O)OCI)C

InChI

InChI=1S/C18H21IN2O5S/c1-18(2)13(16(23)26-10-19)21-14(22)12(15(21)27-18)8-20-17(24)25-9-11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3,(H,20,24)