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

Systemtic Name: methyl 2-[2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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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)OC)C#N)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S2/c1-11-15(12(2)25)8-13(9-22)19(23-11)29-10-17(26)24-20-18(21(27)28-3)14-6-4-5-7-16(14)30-20/h8H,4-7,10H2,1-3H3,(H,24,26)