ethyl 1-[[2-(1,3-benzodioxol-5-ylcarbonylamino)-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-(1,3-benzodioxol-5-ylcarbonylamino)-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(1,3-benzodioxole-5-carbonylamino)thiazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-thiazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,3-benzodioxole-5-carbonylamino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(piperonyloylamino)thiazole-4-carbonyl]nipecotic acid ethyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O6S/c1-2-27-19(26)13-4-3-7-23(9-13)18(25)14-10-30-20(21-14)22-17(24)12-5-6-15-16(8-12)29-11-28-15/h5-6,8,10,13H,2-4,7,9,11H2,1H3,(H,21,22,24)