ethyl 2-[6-bromanyl-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-bromanyl-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[(E)-3-phenylacryloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H17BrN2O3S MolecularWeight: 445.32958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H17BrN2O3S/c1-2-26-19(25)13-23-16-10-9-15(21)12-17(16)27-20(23)22-18(24)11-8-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3/b11-8+,22-20?