[3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [3-(2-chloranyl-6-fluoranyl-phenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [3-(2-chloro-6-fluoro-phenyl)-2-methyl-4-oxo-chromen-7-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [3-(2-chloro-6-fluoro-phenyl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C27H21ClFNO5S MolecularWeight: 525.975743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3CCN(CC3)C(=O)C4=CC=CS4)C5=C(C=CC=C5Cl)F

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3CCN(CC3)C(=O)C4=CC=CS4)C5=C(C=CC=C5Cl)F

InChI

InChI=1S/C27H21ClFNO5S/c1-15-23(24-19(28)4-2-5-20(24)29)25(31)18-8-7-17(14-21(18)34-15)35-27(33)16-9-11-30(12-10-16)26(32)22-6-3-13-36-22/h2-8,13-14,16H,9-12H2,1H3