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

Systemtic Name: methyl 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[(4-thiazol-2-ylpiperazin-1-yl)methyl]benzoate CAS Name: 3-[[4-(2-thiazolyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]benzoate Traditional Name: 3-[(4-thiazol-2-ylpiperazino)methyl]benzoic acid methyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C3=NC=CS3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C16H19N3O2S/c1-21-15(20)14-4-2-3-13(11-14)12-18-6-8-19(9-7-18)16-17-5-10-22-16/h2-5,10-11H,6-9,12H2,1H3