methyl 7-[[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]heptanoate CAS Name: 7-[[[2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]heptanoate Traditional Name: 7-[[2-[(3,4-dimethylphenyl)thio]nicotinoyl]amino]enanthic acid methyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCCCCCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCCCCCC(=O)OC)C

InChI

InChI=1S/C22H28N2O3S/c1-16-11-12-18(15-17(16)2)28-22-19(9-8-14-24-22)21(26)23-13-7-5-4-6-10-20(25)27-3/h8-9,11-12,14-15H,4-7,10,13H2,1-3H3,(H,23,26)