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

Systemtic Name: ethyl 2-[2-(6-tert-butyl-3-cyano-4-phenyl-pyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-tert-butyl-3-cyano-4-phenylpyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(6-tert-butyl-3-cyano-4-phenyl-2-pyridyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=CC(=N3)C(C)(C)C)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=CC(=N3)C(C)(C)C)C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H31N3O3S2/c1-5-35-28(34)25-19-13-9-10-14-22(19)37-27(25)32-24(33)17-36-26-21(16-30)20(18-11-7-6-8-12-18)15-23(31-26)29(2,3)4/h6-8,11-12,15H,5,9-10,13-14,17H2,1-4H3,(H,32,33)