methyl 3-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoylamino]-4-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoylamino]-4-methyl-thiophene-2-carboxylate Openeye Name: methyl 3-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoylamino]-4-methyl-thiophene-2-carboxylate CAS Name: 3-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxopropyl]amino]-4-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoylamino]-4-methylthiophene-2-carboxylate Traditional Name: 3-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propanoylamino]-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S2/c1-9-6-11(3)20-17(13(9)7-19)26-12(4)16(22)21-14-10(2)8-25-15(14)18(23)24-5/h6,8,12H,1-5H3,(H,21,22)