2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(2-methyl-1H-indol-3-yl)acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(2-methyl-1H-indol-3-yl)acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)piperidino]-2-(2-methyl-1H-indol-3-yl)acetic acid Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N3O2S/c1-14-20(16-8-2-3-9-17(16)24-14)21(23(27)28)26-12-6-7-15(13-26)22-25-18-10-4-5-11-19(18)29-22/h2-5,8-11,15,21,24H,6-7,12-13H2,1H3,(H,27,28)