1,3-benzothiazol-2-ylmethyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S2/c1-13-7-8-14(2)17(11-13)27(23,24)20-10-9-19(22)25-12-18-21-15-5-3-4-6-16(15)26-18/h3-8,11,20H,9-10,12H2,1-2H3