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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1C#N)SCC(=O)NC2=CC=CC=C2C(=O)OC)N)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1C#N)SCC(=O)NC2=CC=CC=C2C(=O)OC)N)C#N

InChI

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