tert-butyl 3-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O5S/c1-21(2,3)29-20(26)24-8-4-5-14(10-24)18(25)23-19-22-15(11-30-19)13-6-7-16-17(9-13)28-12-27-16/h6-7,9,11,14H,4-5,8,10,12H2,1-3H3,(H,22,23,25)