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

Systemtic Name: ethyl 4-[2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H15N5O3S MolecularWeight: 381.4084

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O3S/c1-2-26-18(25)11-3-5-14(6-4-11)22-15(24)10-27-17-13(9-20)7-12(8-19)16(21)23-17/h3-7H,2,10H2,1H3,(H2,21,23)(H,22,24)