O-(phenylmethyl) 2-[2-chloranylethanoyl-(2,6-dimethylphenyl)amino]propanethioate

Systemtic Name: O-(phenylmethyl) 2-[2-chloranylethanoyl-(2,6-dimethylphenyl)amino]propanethioate Openeye Name: O-benzyl 2-(N-(2-chloroacetyl)-2,6-dimethyl-anilino)propanethioate CAS Name: 2-(N-(2-chloro-1-oxoethyl)-2,6-dimethylanilino)propanethioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanethioate Traditional Name: 2-(N-(2-chloroacetyl)-2,6-dimethyl-anilino)propanethioic acid O-benzyl ester Formula: C20H22ClNO2S MolecularWeight: 375.91218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C(C)C(=S)OCC2=CC=CC=C2)C(=O)CCl

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C(C)C(=S)OCC2=CC=CC=C2)C(=O)CCl

InChI

InChI=1S/C20H22ClNO2S/c1-14-8-7-9-15(2)19(14)22(18(23)12-21)16(3)20(25)24-13-17-10-5-4-6-11-17/h4-11,16H,12-13H2,1-3H3