methyl 2-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)C

InChI

InChI=1S/C20H21N3O5S/c1-11-6-12(2)22-19(14(11)9-21)29-10-18(24)23-15-8-17(27-4)16(26-3)7-13(15)20(25)28-5/h6-8H,10H2,1-5H3,(H,23,24)