[(2R)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [(2R)-1-oxo-1-[(4-phenyl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [(1R)-2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O[C@H](C)C(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5S2/c1-15-8-10-18(11-9-15)31(27,28)13-12-20(25)29-16(2)21(26)24-22-23-19(14-30-22)17-6-4-3-5-7-17/h3-11,14,16H,12-13H2,1-2H3,(H,23,24,26)/t16-/m1/s1