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

Systemtic Name: methyl 4-[2-oxidanyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-(4-thiazol-2-ylpiperazin-1-yl)propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[4-(2-thiazolyl)-1-piperazinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(4-thiazol-2-ylpiperazino)propoxy]benzoic acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-24-17(23)14-2-4-16(5-3-14)25-13-15(22)12-20-7-9-21(10-8-20)18-19-6-11-26-18/h2-6,11,15,22H,7-10,12-13H2,1H3