1,3-benzothiazol-2-ylmethyl 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H14ClNO4S2 MolecularWeight: 395.88036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClNO4S2/c18-12-5-7-13(8-6-12)25(21,22)10-9-17(20)23-11-16-19-14-3-1-2-4-15(14)24-16/h1-8H,9-11H2