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

Systemtic Name: 2-methylpropyl 5-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N2CCN(CC2)CC(C3=CC(=C(C=C3)O)C(=O)OCC(C)C)O

Isomeric SMILES

CC1=CSC(=N1)N2CCN(CC2)CC(C3=CC(=C(C=C3)O)C(=O)OCC(C)C)O

InChI

InChI=1S/C21H29N3O4S/c1-14(2)12-28-20(27)17-10-16(4-5-18(17)25)19(26)11-23-6-8-24(9-7-23)21-22-15(3)13-29-21/h4-5,10,13-14,19,25-26H,6-9,11-12H2,1-3H3