[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)Br

InChI

InChI=1S/C20H21BrN2O4S/c1-13-4-5-16(15(21)11-13)22-18(24)12-27-20(26)14-6-8-23(9-7-14)19(25)17-3-2-10-28-17/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,24)