2-[1-[(6-bromanyl-1,3-benzothiazol-2-yl)methyl]-3-ethyl-2H-indazol-3-yl]ethanoate

Systemtic Name: 2-[1-[(6-bromanyl-1,3-benzothiazol-2-yl)methyl]-3-ethyl-2H-indazol-3-yl]ethanoate Openeye Name: 2-[1-[(6-bromo-1,3-benzothiazol-2-yl)methyl]-3-ethyl-2H-indazol-3-yl]acetate CAS Name: 2-[1-[(6-bromo-1,3-benzothiazol-2-yl)methyl]-3-ethyl-2H-indazol-3-yl]acetate IUPAC Name: 2-[1-[(6-bromo-1,3-benzothiazol-2-yl)methyl]-3-ethyl-2H-indazol-3-yl]acetate Traditional Name: 2-[1-[(6-bromo-1,3-benzothiazol-2-yl)methyl]-3-ethyl-indazolin-3-yl]acetate Formula: C19H17BrN3O2S- MolecularWeight: 431.32618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2N(N1)CC3=NC4=C(S3)C=C(C=C4)Br)CC(=O)[O-]

Isomeric SMILES

CCC1(C2=CC=CC=C2N(N1)CC3=NC4=C(S3)C=C(C=C4)Br)CC(=O)[O-]

InChI

InChI=1S/C19H18BrN3O2S/c1-2-19(10-18(24)25)13-5-3-4-6-15(13)23(22-19)11-17-21-14-8-7-12(20)9-16(14)26-17/h3-9,22H,2,10-11H2,1H3,(H,24,25)/p-1