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

Systemtic Name: methyl 2-[6-methylsulfonyl-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methylsulfonyl-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methylsulfonyl-2-[(E)-3-phenylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-[(E)-3-phenylacryloyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O5S2/c1-27-19(24)13-22-16-10-9-15(29(2,25)26)12-17(16)28-20(22)21-18(23)11-8-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3/b11-8+,21-20?