tert-butyl 2-(4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)pyrrole-1-carboxylate CAS Name: 2-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)pyrrole-1-carboxylate Traditional Name: 2-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)C2=CC=CN2C(=O)OC(C)(C)C)(C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(SC(=N1)C2=CC=CN2C(=O)OC(C)(C)C)(C)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-14(24)23-20(5,15-10-7-6-8-11-15)27-17(21-23)16-12-9-13-22(16)18(25)26-19(2,3)4/h6-13H,1-5H3