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

Systemtic Name: ethyl 4-[2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]butanoylamino]benzoate CAS Name: 4-[[2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

InChI

InChI=1S/C24H21N5O4S/c1-3-19(22(30)28-15-9-7-14(8-10-15)24(31)32-4-2)34-23-17(13-26)20(18-6-5-11-33-18)16(12-25)21(27)29-23/h5-11,19H,3-4H2,1-2H3,(H2,27,29)(H,28,30)