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

Systemtic Name: ethyl 2-[2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-amino-3,5-dicyano-4-methylpyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=C(C(=N3)N)C#N)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=C(C(=N3)N)C#N)C)C#N

InChI

InChI=1S/C21H21N5O3S2/c1-3-29-21(28)17-12-6-4-5-7-15(12)31-20(17)25-16(27)10-30-19-14(9-23)11(2)13(8-22)18(24)26-19/h3-7,10H2,1-2H3,(H2,24,26)(H,25,27)