(4-methylsulfanylphenyl)methyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid [4-(methylthio)benzyl] ester Formula: C19H23NO4S2 MolecularWeight: 393.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C19H23NO4S2/c1-14-4-5-15(2)18(12-14)26(22,23)20-11-10-19(21)24-13-16-6-8-17(25-3)9-7-16/h4-9,12,20H,10-11,13H2,1-3H3