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

Systemtic Name: propyl 5-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-3-10-27-19(26)16-11-15(4-5-17(16)24)18(25)12-22-6-8-23(9-7-22)20-21-14(2)13-28-20/h4-5,11,13,18,24-25H,3,6-10,12H2,1-2H3