(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H21NO5S/c1-14-4-5-17-16(12-20(24)28-18(17)11-14)13-27-22(26)15-6-8-23(9-7-15)21(25)19-3-2-10-29-19/h2-5,10-12,15H,6-9,13H2,1H3