[5-(2-phenylethynyl)thiophen-2-yl]methyl 1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylate

Systemtic Name: [5-(2-phenylethynyl)thiophen-2-yl]methyl 1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylate Openeye Name: [5-(2-phenylethynyl)-2-thienyl]methyl 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 [5-(2-phenylethynyl)-2-thiophenyl]methyl ester IUPAC Name: [5-(2-phenylethynyl)thiophen-2-yl]methyl 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 [5-(2-phenylethynyl)-2-thienyl]methyl ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C(=O)OCC4=CC=C(S4)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C(=O)OCC4=CC=C(S4)C#CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3S/c31-25-27(30(20-28-25)22-9-5-2-6-10-22)15-17-29(18-16-27)26(32)33-19-24-14-13-23(34-24)12-11-21-7-3-1-4-8-21/h1-10,13-14H,15-20H2,(H,28,31)