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

Systemtic Name: (phenylmethyl) (5S)-6-azanyl-7-oxidanylidene-spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,3'-thiolane]-2-carboxylate Openeye Name: benzyl (5S)-6-amino-7-oxo-spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,3'-tetrahydrothiophene]-2-carboxylate CAS Name: (5S)-6-amino-7-oxo-2-spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,3'-thiolane]carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (5S)-6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,3'-thiolane]-2-carboxylate Traditional Name: (5S)-6-amino-7-keto-spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,3'-tetrahydrothiophene]-2-carboxylic acid benzyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC12C(N3C(S2)C(C3=O)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CSCC12C(N3[C@@H](S2)C(C3=O)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C16H18N2O3S2/c17-11-13(19)18-12(16(23-14(11)18)6-7-22-9-16)15(20)21-8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9,17H2/t11?,12?,14-,16?/m0/s1