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

Systemtic Name: ethyl 2-[3-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H23N5O3S3 MolecularWeight: 537.67682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CS4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CS4)C#N

InChI

InChI=1S/C25H23N5O3S3/c1-2-33-25(32)21-14-6-3-4-7-17(14)36-24(21)29-19(31)9-11-35-23-16(13-27)20(18-8-5-10-34-18)15(12-26)22(28)30-23/h5,8,10H,2-4,6-7,9,11H2,1H3,(H2,28,30)(H,29,31)