1,3-benzothiazol-2-ylmethyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(mesitylsulfonylamino)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S2/c1-13-10-14(2)20(15(3)11-13)28(24,25)21-9-8-19(23)26-12-18-22-16-6-4-5-7-17(16)27-18/h4-7,10-11,21H,8-9,12H2,1-3H3