ethyl 5-cyano-6-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[ethyl-(3-fluorobenzyl)amino]-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

InChI=1S/C21H22FN3O3S/c1-4-25(12-15-7-6-8-17(22)9-15)19(26)13-29-20-16(11-23)10-18(14(3)24-20)21(27)28-5-2/h6-10H,4-5,12-13H2,1-3H3