1,3-benzothiazol-2-ylmethyl 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[[(E)-2-(p-tolyl)vinyl]sulfonylamino]propanoate CAS Name: 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate Traditional Name: 3-[[(E)-2-(p-tolyl)vinyl]sulfonylamino]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CS(=O)(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O4S2/c1-15-6-8-16(9-7-15)11-13-28(24,25)21-12-10-20(23)26-14-19-22-17-4-2-3-5-18(17)27-19/h2-9,11,13,21H,10,12,14H2,1H3/b13-11+