(phenylmethyl) 2-[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[4,6-dimethyl-3-(phenylcarbamoyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-[anilino(oxo)methyl]-4,6-dimethyl-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4,6-dimethyl-3-(phenylcarbamoyl)-2-pyridyl]thio]acetic acid benzyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)NC2=CC=CC=C2)SCC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)NC2=CC=CC=C2)SCC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C23H22N2O3S/c1-16-13-17(2)24-23(21(16)22(27)25-19-11-7-4-8-12-19)29-15-20(26)28-14-18-9-5-3-6-10-18/h3-13H,14-15H2,1-2H3,(H,25,27)