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

Systemtic Name: ethyl 2-[2-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-cyano-4,6-dithiophen-2-yl-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-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H23N3O3S4 MolecularWeight: 565.74982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=CC(=N3)C4=CC=CS4)C5=CC=CS5)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=CC(=N3)C4=CC=CS4)C5=CC=CS5)C#N

InChI

InChI=1S/C27H23N3O3S4/c1-2-33-27(32)24-16-7-3-4-8-21(16)37-26(24)30-23(31)15-36-25-18(14-28)17(20-9-5-11-34-20)13-19(29-25)22-10-6-12-35-22/h5-6,9-13H,2-4,7-8,15H2,1H3,(H,30,31)