4-[3-[4-[(6-methyl-1,3-benzothiazol-2-yl)carbonyl]piperidin-1-yl]propoxy]benzoic acid

Systemtic Name: 4-[3-[4-[(6-methyl-1,3-benzothiazol-2-yl)carbonyl]piperidin-1-yl]propoxy]benzoic acid Openeye Name: 4-[3-[4-(6-methyl-1,3-benzothiazole-2-carbonyl)-1-piperidyl]propoxy]benzoic acid CAS Name: 4-[3-[4-[(6-methyl-1,3-benzothiazol-2-yl)-oxomethyl]-1-piperidinyl]propoxy]benzoic acid IUPAC Name: 4-[3-[4-(6-methyl-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]propoxy]benzoic acid Traditional Name: 4-[3-[4-(6-methyl-1,3-benzothiazole-2-carbonyl)piperidino]propoxy]benzoic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C(=O)C3CCN(CC3)CCCOC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C(=O)C3CCN(CC3)CCCOC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H26N2O4S/c1-16-3-8-20-21(15-16)31-23(25-20)22(27)17-9-12-26(13-10-17)11-2-14-30-19-6-4-18(5-7-19)24(28)29/h3-8,15,17H,2,9-14H2,1H3,(H,28,29)