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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H17NO4S2 MolecularWeight: 375.46188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4S2/c1-13-6-8-14(9-7-13)25(21,22)11-10-18(20)23-12-17-19-15-4-2-3-5-16(15)24-17/h2-9H,10-12H2,1H3