2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(5-methoxy-1H-indol-3-yl)acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(5-methoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)piperidino]-2-(5-methoxy-1H-indol-3-yl)acetic acid Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N3O3S/c1-29-15-8-9-18-16(11-15)17(12-24-18)21(23(27)28)26-10-4-5-14(13-26)22-25-19-6-2-3-7-20(19)30-22/h2-3,6-9,11-12,14,21,24H,4-5,10,13H2,1H3,(H,27,28)