ethyl 2-[1-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-[2-(3-oxo-1H-isobenzofuran-1-yl)acetyl]-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[1-oxo-2-(3-oxo-1H-isobenzofuran-1-yl)ethyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-(2-phthalidylacetyl)-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H22N2O5S/c1-2-27-21(26)16-12-29-19(22-16)13-7-9-23(10-8-13)18(24)11-17-14-5-3-4-6-15(14)20(25)28-17/h3-6,12-13,17H,2,7-11H2,1H3