ethyl 2-[2-(3-cyano-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-cyano-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-cyano-6-methyl-4-(2-thienyl)-2-pyridyl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-cyano-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-cyano-6-methyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[3-cyano-6-methyl-4-(2-thienyl)-2-pyridyl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H23N3O3S3 MolecularWeight: 497.65272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S3/c1-3-30-24(29)21-15-7-4-5-8-19(15)33-23(21)27-20(28)13-32-22-17(12-25)16(11-14(2)26-22)18-9-6-10-31-18/h6,9-11H,3-5,7-8,13H2,1-2H3,(H,27,28)