[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C18H17FN2O3S MolecularWeight: 360.402583

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OC(C2=CC=C(C=C2)F)C(=O)NC3CC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OC(C2=CC=C(C=C2)F)C(=O)NC3CC3

InChI

InChI=1S/C18H17FN2O3S/c1-25-17-14(3-2-10-20-17)18(23)24-15(16(22)21-13-8-9-13)11-4-6-12(19)7-5-11/h2-7,10,13,15H,8-9H2,1H3,(H,21,22)