tert-butyl 7-methyl-7-oxidanyl-9-phenyl-2-sulfanylidene-1,3,4-triazaspiro[4.5]decane-10-carboxylate

Systemtic Name: tert-butyl 7-methyl-7-oxidanyl-9-phenyl-2-sulfanylidene-1,3,4-triazaspiro[4.5]decane-10-carboxylate Openeye Name: tert-butyl 7-hydroxy-7-methyl-9-phenyl-2-thioxo-1,3,4-triazaspiro[4.5]decane-10-carboxylate CAS Name: 7-hydroxy-7-methyl-9-phenyl-2-sulfanylidene-1,3,4-triazaspiro[4.5]decane-10-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-hydroxy-7-methyl-9-phenyl-2-sulfanylidene-1,3,4-triazaspiro[4.5]decane-10-carboxylate Traditional Name: 7-hydroxy-7-methyl-9-phenyl-2-thioxo-1,3,4-triazaspiro[4.5]decane-10-carboxylic acid tert-butyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(C2(C1)NC(=S)NN2)C(=O)OC(C)(C)C)C3=CC=CC=C3)O

Isomeric SMILES

CC1(CC(C(C2(C1)NC(=S)NN2)C(=O)OC(C)(C)C)C3=CC=CC=C3)O

InChI

InChI=1S/C19H27N3O3S/c1-17(2,3)25-15(23)14-13(12-8-6-5-7-9-12)10-18(4,24)11-19(14)20-16(26)21-22-19/h5-9,13-14,22,24H,10-11H2,1-4H3,(H2,20,21,26)