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

Systemtic Name: methyl 3-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

InChI

InChI=1S/C20H21N3O3S/c1-11-6-7-15(20(25)26-5)8-17(11)23-18(24)10-27-19-16(9-21)13(3)12(2)14(4)22-19/h6-8H,10H2,1-5H3,(H,23,24)