ethyl 4-[3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]propanoylamino]benzoate CAS Name: 4-[[3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C27H25N5O3S MolecularWeight: 499.5841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)C(=O)OCC)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)C(=O)OCC)N)C#N

InChI

InChI=1S/C27H25N5O3S/c1-3-17-5-7-18(8-6-17)24-21(15-28)25(30)32-26(22(24)16-29)36-14-13-23(33)31-20-11-9-19(10-12-20)27(34)35-4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,30,32)(H,31,33)