methyl 2-(spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-ylcarbonylamino)benzoate

Systemtic Name: methyl 2-(spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-ylcarbonylamino)benzoate Openeye Name: methyl 2-(spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carbonylamino)benzoate CAS Name: 2-[[oxo(3'-spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carbonylamino)benzoate Traditional Name: 2-(spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carbonylamino)benzoic acid methyl ester Formula: C20H25NO3S2 MolecularWeight: 391.5474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CC3CCCC(C2)C34SCCS4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CC3CCCC(C2)C34SCCS4

InChI

InChI=1S/C20H25NO3S2/c1-24-19(23)16-7-2-3-8-17(16)21-18(22)13-11-14-5-4-6-15(12-13)20(14)25-9-10-26-20/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,21,22)