methyl 3-[6-nitro-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-nitro-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-nitro-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-nitro-2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-nitro-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-nitro-2-[(E)-3-phenylacryloyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O5S/c1-28-19(25)11-12-22-16-9-8-15(23(26)27)13-17(16)29-20(22)21-18(24)10-7-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3/b10-7+,21-20?