(2-bromanyl-4-cyano-6-ethoxy-phenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C19H13BrN2O3S MolecularWeight: 429.28712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H13BrN2O3S/c1-2-24-15-10-12(11-21)9-13(20)19(15)25-18(23)8-7-17-22-14-5-3-4-6-16(14)26-17/h3-10H,2H2,1H3/b8-7+