(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H21NO7S2 MolecularWeight: 463.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)O

InChI

InChI=1S/C21H21NO7S2/c1-13-17(23)5-4-16-15(11-18(24)29-20(13)16)12-28-21(25)14-6-8-22(9-7-14)31(26,27)19-3-2-10-30-19/h2-5,10-11,14,23H,6-9,12H2,1H3