methyl 2-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl-methyl-amino]benzoate Openeye Name: methyl 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]-methyl-amino]benzoate CAS Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]-methylamino]benzoate Traditional Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]-methyl-amino]benzoic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N(C)C2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N(C)C2=CC=CC=C2C(=O)OC)C

InChI

InChI=1S/C19H19N3O3S/c1-12-9-13(2)21-18(15(12)10-20)26-11-17(23)22(3)16-8-6-5-7-14(16)19(24)25-4/h5-9H,11H2,1-4H3