2-[2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C#N)C(=O)C

InChI

InChI=1S/C20H20N4O3S2/c1-10-14(11(2)25)7-12(8-21)19(23-10)28-9-16(26)24-20-17(18(22)27)13-5-3-4-6-15(13)29-20/h7H,3-6,9H2,1-2H3,(H2,22,27)(H,24,26)