methyl 6-[[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]hexanoate CAS Name: 6-[[[2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]hexanoate Traditional Name: 6-[[2-[(3,4-dimethylphenyl)thio]nicotinoyl]amino]hexanoic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-15-10-11-17(14-16(15)2)27-21-18(8-7-13-23-21)20(25)22-12-6-4-5-9-19(24)26-3/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,22,25)