(E)-2-(1,3-benzothiazol-2-yl)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-(1,3-benzothiazol-2-yl)acrylonitrile Formula: C20H15BrN2O2S MolecularWeight: 427.3143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)Br)OCC=C

InChI

InChI=1S/C20H15BrN2O2S/c1-3-8-25-19-15(21)10-13(11-17(19)24-2)9-14(12-22)20-23-16-6-4-5-7-18(16)26-20/h3-7,9-11H,1,8H2,2H3/b14-9+