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

Systemtic Name: methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate CAS Name: 3-[[[2-[(2,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate Traditional Name: 3-[[2-[(2,4-dimethylphenyl)thio]nicotinoyl]amino]propionic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-12-6-7-15(13(2)11-12)24-18-14(5-4-9-20-18)17(22)19-10-8-16(21)23-3/h4-7,9,11H,8,10H2,1-3H3,(H,19,22)