methyl 3-[[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-[4-(3-bromophenyl)thiazol-2-yl]-1-piperidyl]methyl]benzoate CAS Name: 3-[[4-[4-(3-bromophenyl)-2-thiazolyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]benzoate Traditional Name: 3-[[4-[4-(3-bromophenyl)thiazol-2-yl]piperidino]methyl]benzoic acid methyl ester Formula: C23H23BrN2O2S MolecularWeight: 471.40992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H23BrN2O2S/c1-28-23(27)19-6-2-4-16(12-19)14-26-10-8-17(9-11-26)22-25-21(15-29-22)18-5-3-7-20(24)13-18/h2-7,12-13,15,17H,8-11,14H2,1H3