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

Systemtic Name: methyl 4-[[2-(2,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]butanoate CAS Name: 4-[[[2-[(2,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]butanoate Traditional Name: 4-[[2-[(2,4-dimethylphenyl)thio]nicotinoyl]amino]butyric acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-13-8-9-16(14(2)12-13)25-19-15(6-4-11-21-19)18(23)20-10-5-7-17(22)24-3/h4,6,8-9,11-12H,5,7,10H2,1-3H3,(H,20,23)