(2-oxidanylidene-2-phenylazanyl-ethyl) 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H21N3O3S/c1-15-12-16(2)24-22(23-15)29-14-17-8-6-7-11-19(17)21(27)28-13-20(26)25-18-9-4-3-5-10-18/h3-12H,13-14H2,1-2H3,(H,25,26)