[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S2/c1-14-8-9-15(2)18(10-14)27-13-20(25)26-11-19(24)23-21-22-17(12-28-21)16-6-4-3-5-7-16/h3-10,12H,11,13H2,1-2H3,(H,22,23,24)