tert-butyl N-[[3-(2,2-dimethylpropanoyl)-5-ethenyl-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-(2,2-dimethylpropanoyl)-5-ethenyl-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamate Openeye Name: tert-butyl N-[[3-(2,2-dimethylpropanoyl)-2-phenyl-5-vinyl-1,3,4-thiadiazol-2-yl]methyl]carbamate CAS Name: N-[[3-(2,2-dimethyl-1-oxopropyl)-5-ethenyl-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-(2,2-dimethylpropanoyl)-5-ethenyl-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamate Traditional Name: N-[(2-phenyl-3-pivaloyl-5-vinyl-1,3,4-thiadiazol-2-yl)methyl]carbamic acid tert-butyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C(SC(=N1)C=C)(CNC(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)N1C(SC(=N1)C=C)(CNC(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H29N3O3S/c1-8-16-23-24(17(25)19(2,3)4)21(28-16,15-12-10-9-11-13-15)14-22-18(26)27-20(5,6)7/h8-13H,1,14H2,2-7H3,(H,22,26)