(phenylmethyl) (5S)-7-oxidanylidene-6-(2-phenylethanoylamino)spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,1'-cycloheptane]-2-carboxylate

Systemtic Name: (phenylmethyl) (5S)-7-oxidanylidene-6-(2-phenylethanoylamino)spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,1'-cycloheptane]-2-carboxylate Openeye Name: benzyl (5S)-7-oxo-6-[(2-phenylacetyl)amino]spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,1'-cycloheptane]-2-carboxylate CAS Name: (5S)-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-2-spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,1'-cycloheptane]carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (5S)-7-oxo-6-[(2-phenylacetyl)amino]spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,1'-cycloheptane]-2-carboxylate Traditional Name: (5S)-7-keto-6-[(2-phenylacetyl)amino]spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,1'-cycloheptane]-2-carboxylic acid benzyl ester Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2(CC1)C(N3C(S2)C(C3=O)NC(=O)CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCCC2(CC1)C(N3[C@@H](S2)C(C3=O)NC(=O)CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H30N2O4S/c30-21(17-19-11-5-3-6-12-19)28-22-24(31)29-23(26(32)33-18-20-13-7-4-8-14-20)27(34-25(22)29)15-9-1-2-10-16-27/h3-8,11-14,22-23,25H,1-2,9-10,15-18H2,(H,28,30)/t22?,23?,25-/m0/s1