(4-methylsulfanylphenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]propanoate CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]propionic acid [4-(methylthio)benzyl] ester Formula: C16H20N2O5S2 MolecularWeight: 384.4704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H20N2O5S2/c1-11-16(12(2)23-18-11)25(20,21)17-9-8-15(19)22-10-13-4-6-14(24-3)7-5-13/h4-7,17H,8-10H2,1-3H3