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

Systemtic Name: ethyl 4-[2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-amino-3,5-dicyano-4-methylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C)C#N

InChI

InChI=1S/C19H17N5O3S/c1-3-27-19(26)12-4-6-13(7-5-12)23-16(25)10-28-18-15(9-21)11(2)14(8-20)17(22)24-18/h4-7H,3,10H2,1-2H3,(H2,22,24)(H,23,25)