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

Systemtic Name: tert-butyl N-[(3-ethanoyl-5-ethenyl-2-phenyl-1,3,4-thiadiazol-2-yl)methyl]carbamate Openeye Name: tert-butyl N-[(3-acetyl-2-phenyl-5-vinyl-1,3,4-thiadiazol-2-yl)methyl]carbamate CAS Name: N-[(3-acetyl-5-ethenyl-2-phenyl-1,3,4-thiadiazol-2-yl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3-acetyl-5-ethenyl-2-phenyl-1,3,4-thiadiazol-2-yl)methyl]carbamate Traditional Name: N-[(3-acetyl-2-phenyl-5-vinyl-1,3,4-thiadiazol-2-yl)methyl]carbamic acid tert-butyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-6-15-20-21(13(2)22)18(25-15,14-10-8-7-9-11-14)12-19-16(23)24-17(3,4)5/h6-11H,1,12H2,2-5H3,(H,19,23)