(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C3CCN(CC3)S(=O)(=O)CC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C3CCN(CC3)S(=O)(=O)CC

InChI

InChI=1S/C20H25NO6S/c1-4-14-11-16-13(3)10-19(22)26-18(16)12-17(14)27-20(23)15-6-8-21(9-7-15)28(24,25)5-2/h10-12,15H,4-9H2,1-3H3