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

Systemtic Name: methyl 2-[2-(3,5-dicyano-6-methyl-4-thiophen-2-yl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[3,5-dicyano-6-methyl-4-(2-thienyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(3,5-dicyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,5-dicyano-6-methyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3,5-dicyano-6-methyl-4-(2-thienyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H16N4O3S2 MolecularWeight: 448.51744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1C#N)C2=CC=CS2)C#N)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=NC(=C(C(=C1C#N)C2=CC=CS2)C#N)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H16N4O3S2/c1-13-15(10-23)20(18-8-5-9-30-18)16(11-24)21(25-13)31-12-19(27)26-17-7-4-3-6-14(17)22(28)29-2/h3-9H,12H2,1-2H3,(H,26,27)