ethyl 1-[(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5E)-5-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxylate CAS Name: 1-[(5E)-5-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]-4-oxo-2-thiazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[(5E)-4-keto-5-[(2-methylcoumaran-5-yl)methylene]-2-thiazolin-2-yl]isonipecotic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=CC3=CC4=C(C=C3)OC(C4)C)S2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=O)/C(=C\C3=CC4=C(C=C3)OC(C4)C)/S2

InChI

InChI=1S/C21H24N2O4S/c1-3-26-20(25)15-6-8-23(9-7-15)21-22-19(24)18(28-21)12-14-4-5-17-16(11-14)10-13(2)27-17/h4-5,11-13,15H,3,6-10H2,1-2H3/b18-12+