methyl 4-[3-[4-(1,3-benzothiazol-2-ylcarbonyl)piperidin-1-yl]propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-(1,3-benzothiazol-2-ylcarbonyl)piperidin-1-yl]propoxy]benzoate Openeye Name: methyl 4-[3-[4-(1,3-benzothiazole-2-carbonyl)-1-piperidyl]propoxy]benzoate CAS Name: 4-[3-[4-[1,3-benzothiazol-2-yl(oxo)methyl]-1-piperidinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]propoxy]benzoate Traditional Name: 4-[3-[4-(1,3-benzothiazole-2-carbonyl)piperidino]propoxy]benzoic acid methyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCCN2CCC(CC2)C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCCN2CCC(CC2)C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H26N2O4S/c1-29-24(28)18-7-9-19(10-8-18)30-16-4-13-26-14-11-17(12-15-26)22(27)23-25-20-5-2-3-6-21(20)31-23/h2-3,5-10,17H,4,11-16H2,1H3