tert-butyl 4-[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-(1,3-benzothiazol-2-yl)-2-furoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O4S/c1-21(2,3)28-20(26)24-12-10-23(11-13-24)19(25)16-9-8-15(27-16)18-22-14-6-4-5-7-17(14)29-18/h4-9H,10-13H2,1-3H3