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

Systemtic Name: ethyl 2-[2-(3,5-dicyano-6-methyl-4-thiophen-2-yl-pyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[3,5-dicyano-6-methyl-4-(2-thienyl)-2-pyridyl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3,5-dicyano-6-methyl-4-thiophen-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-(3,5-dicyano-6-methyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[3,5-dicyano-6-methyl-4-(2-thienyl)-2-pyridyl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H22N4O3S3 MolecularWeight: 522.66218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O3S3/c1-3-32-25(31)22-15-7-4-5-8-18(15)35-24(22)29-20(30)13-34-23-17(12-27)21(19-9-6-10-33-19)16(11-26)14(2)28-23/h6,9-10H,3-5,7-8,13H2,1-2H3,(H,29,30)