2-[3-(4-azanylbutyl)-2-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]acetic acid Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

InChI

InChI=1S/C21H21N3O2S/c22-10-4-3-5-14-15-11-13(12-19(25)26)8-9-16(15)23-20(14)21-24-17-6-1-2-7-18(17)27-21/h1-2,6-9,11,23H,3-5,10,12,22H2,(H,25,26)