ethyl 4-cyano-5-[2-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridyl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridyl]thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H19FN4O3S3 MolecularWeight: 562.658163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N)C#N)C

InChI

InChI=1S/C27H19FN4O3S3/c1-3-35-27(34)24-15(2)19(12-29)26(38-24)32-23(33)14-37-25-20(13-30)18(16-6-8-17(28)9-7-16)11-21(31-25)22-5-4-10-36-22/h4-11H,3,14H2,1-2H3,(H,32,33)