3-[1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-5-carboxylic acid

Systemtic Name: 3-[1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-5-carboxylic acid Openeye Name: 3-[1-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[1-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-hydroxy-2-oxoethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[1-[3-(1,3-benzothiazol-2-yl)piperidino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-5-carboxylic acid Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H23N3O4S/c1-26-13-17(16-11-14(23(28)29)8-9-19(16)26)21(24(30)31)27-10-4-5-15(12-27)22-25-18-6-2-3-7-20(18)32-22/h2-3,6-9,11,13,15,21H,4-5,10,12H2,1H3,(H,28,29)(H,30,31)