methyl 2-[5-nitro-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5-nitro-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-nitro-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-nitro-2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-nitro-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-[(E)-3-phenylacryloyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H15N3O5S/c1-27-18(24)12-21-15-11-14(22(25)26)8-9-16(15)28-19(21)20-17(23)10-7-13-5-3-2-4-6-13/h2-11H,12H2,1H3/b10-7+,20-19?