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

Systemtic Name: ethyl 4-[2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]butanoylamino]benzoate CAS Name: 4-[[2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C28H27N5O3S MolecularWeight: 513.61068

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H27N5O3S/c1-4-17-7-9-18(10-8-17)24-21(15-29)25(31)33-27(22(24)16-30)37-23(5-2)26(34)32-20-13-11-19(12-14-20)28(35)36-6-3/h7-14,23H,4-6H2,1-3H3,(H2,31,33)(H,32,34)