(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 1-(2-thienylsulfonyl)piperidine-3-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-3-piperidinecarboxylic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Traditional Name: 1-(2-thienylsulfonyl)nipecotic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C22H23NO6S2 MolecularWeight: 461.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H23NO6S2/c1-3-15-11-17-14(2)10-20(24)28-19(17)12-18(15)29-22(25)16-6-4-8-23(13-16)31(26,27)21-7-5-9-30-21/h5,7,9-12,16H,3-4,6,8,13H2,1-2H3