(phenylmethyl) 2-[[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]ethanoate Openeye Name: benzyl 2-[[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]acetate CAS Name: 2-[[[2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]acetate Traditional Name: 2-[[2-[(3,4-dimethylphenyl)thio]nicotinoyl]amino]acetic acid benzyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC(=O)OCC3=CC=CC=C3)C

InChI

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