ethyl 5-[3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C28H26N6O3S2 MolecularWeight: 558.67444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(C)C)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(C)C)C#N)C#N)C

InChI

InChI=1S/C28H26N6O3S2/c1-5-37-28(36)24-16(4)19(12-29)27(39-24)33-22(35)10-11-38-26-21(14-31)23(20(13-30)25(32)34-26)18-8-6-17(7-9-18)15(2)3/h6-9,15H,5,10-11H2,1-4H3,(H2,32,34)(H,33,35)