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

Systemtic Name: ethyl 3-[2-[(E)-3-phenylprop-2-enoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-[(E)-3-phenylprop-2-enoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(E)-3-phenylprop-2-enoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[(E)-3-phenylacryloyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5S2/c1-2-29-20(26)12-13-24-17-10-9-16(31(22,27)28)14-18(17)30-21(24)23-19(25)11-8-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H2,22,27,28)/b11-8+,23-21?