2,1,3-benzothiadiazol-5-ylmethyl 1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylate

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl 1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylate Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl 1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylate CAS Name: 1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylic acid 2,1,3-benzothiadiazol-5-ylmethyl ester IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl 1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylate Traditional Name: 1-keto-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylic acid piazthiol-5-ylmethyl ester Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C(=O)OCC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C(=O)OCC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H21N5O3S/c27-19-21(26(14-22-19)16-4-2-1-3-5-16)8-10-25(11-9-21)20(28)29-13-15-6-7-17-18(12-15)24-30-23-17/h1-7,12H,8-11,13-14H2,(H,22,27)