[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O3S/c1-30-23-21(13-8-15-26-23)24(28)29-17-22(27)25-16-14-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-13,15,20H,14,16-17H2,1H3,(H,25,27)