(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (2-anilinothiazol-4-yl)methyl ester Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC2=CSC(=N2)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC2=CSC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O2S2/c1-14-8-9-15(2)18(10-14)25-13-19(23)24-11-17-12-26-20(22-17)21-16-6-4-3-5-7-16/h3-10,12H,11,13H2,1-2H3,(H,21,22)