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

Systemtic Name: 5-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate Openeye Name: 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]benzoate IUPAC Name: 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]benzoate Formula: C17H20N3O4S- MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N2CCN(CC2)CC(C3=CC(=C(C=C3)O)C(=O)[O-])O

Isomeric SMILES

CC1=CSC(=N1)N2CCN(CC2)CC(C3=CC(=C(C=C3)O)C(=O)[O-])O

InChI

InChI=1S/C17H21N3O4S/c1-11-10-25-17(18-11)20-6-4-19(5-7-20)9-15(22)12-2-3-14(21)13(8-12)16(23)24/h2-3,8,10,15,21-22H,4-7,9H2,1H3,(H,23,24)/p-1