butyl 5-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate

Systemtic Name: butyl 5-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate Openeye Name: butyl 2-hydroxy-5-[1-hydroxy-2-[4-(4-methylthiazol-2-yl)piperazin-1-yl]ethyl]benzoate CAS Name: 2-hydroxy-5-[1-hydroxy-2-[4-(4-methyl-2-thiazolyl)-1-piperazinyl]ethyl]benzoic acid butyl ester IUPAC Name: butyl 2-hydroxy-5-[1-hydroxy-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzoate Traditional Name: 2-hydroxy-5-[1-hydroxy-2-[4-(4-methylthiazol-2-yl)piperazino]ethyl]benzoic acid butyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)C(CN2CCN(CC2)C3=NC(=CS3)C)O)O

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)C(CN2CCN(CC2)C3=NC(=CS3)C)O)O

InChI

InChI=1S/C21H29N3O4S/c1-3-4-11-28-20(27)17-12-16(5-6-18(17)25)19(26)13-23-7-9-24(10-8-23)21-22-15(2)14-29-21/h5-6,12,14,19,25-26H,3-4,7-11,13H2,1-2H3