2-[(E)-2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)ethenyl]-5,6-dimethyl-1,3-benzothiazole hydrochloride

Systemtic Name: 2-[(E)-2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)ethenyl]-5,6-dimethyl-1,3-benzothiazole hydrochloride Openeye Name: 2-[(E)-2-(3-bromo-4-ethoxy-5-methoxy-phenyl)vinyl]-5,6-dimethyl-1,3-benzothiazole hydrochloride CAS Name: 2-[(E)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)ethenyl]-5,6-dimethyl-1,3-benzothiazole hydrochloride IUPAC Name: 2-[(E)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)ethenyl]-5,6-dimethyl-1,3-benzothiazole hydrochloride Traditional Name: 2-[(E)-2-(3-bromo-4-ethoxy-5-methoxy-phenyl)vinyl]-5,6-dimethyl-1,3-benzothiazole hydrochloride Formula: C20H21BrClNO2S MolecularWeight: 454.80824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=CC2=NC3=C(S2)C=C(C(=C3)C)C)OC.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C/C2=NC3=C(S2)C=C(C(=C3)C)C)OC.Cl

InChI

InChI=1S/C20H20BrNO2S.ClH/c1-5-24-20-15(21)10-14(11-17(20)23-4)6-7-19-22-16-8-12(2)13(3)9-18(16)25-19;/h6-11H,5H2,1-4H3;1H/b7-6+;