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

Systemtic Name: ethyl 2-[2-(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C#N)C

InChI

InChI=1S/C22H25N3O3S2/c1-4-16-13(3)10-14(11-23)20(24-16)29-12-18(26)25-21-19(22(27)28-5-2)15-8-6-7-9-17(15)30-21/h10H,4-9,12H2,1-3H3,(H,25,26)