ethyl 2-[1-(3-bromanyl-2,6-dimethoxy-phenyl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1-(3-bromanyl-2,6-dimethoxy-phenyl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-(3-bromo-2,6-dimethoxy-benzoyl)-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[(3-bromo-2,6-dimethoxyphenyl)-oxomethyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-bromo-2,6-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-(3-bromo-2,6-dimethoxy-benzoyl)-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=C(C=CC(=C3OC)Br)OC

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=C(C=CC(=C3OC)Br)OC

InChI

InChI=1S/C20H23BrN2O5S/c1-4-28-20(25)14-11-29-18(22-14)12-7-9-23(10-8-12)19(24)16-15(26-2)6-5-13(21)17(16)27-3/h5-6,11-12H,4,7-10H2,1-3H3