ethyl 3-[3-(2-bromanyl-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoate

Systemtic Name: ethyl 3-[3-(2-bromanyl-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoate Openeye Name: ethyl 3-[3-(2-bromo-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoate CAS Name: 3-[3-(2-bromo-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-bromo-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoate Traditional Name: 3-[3-(2-bromo-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propionic acid ethyl ester Formula: C25H28BrNO3S MolecularWeight: 502.46372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C=C1)OCC2CCCCC2)C3=CC4=C(C=C3)N=C(S4)Br

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C=C1)OCC2CCCCC2)C3=CC4=C(C=C3)N=C(S4)Br

InChI

InChI=1S/C25H28BrNO3S/c1-2-29-24(28)13-9-17-8-12-22(30-16-18-6-4-3-5-7-18)20(14-17)19-10-11-21-23(15-19)31-25(26)27-21/h8,10-12,14-15,18H,2-7,9,13,16H2,1H3