2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]nicotinate Formula: C18H19N2O3S- MolecularWeight: 343.42006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C18H20N2O3S/c1-3-12-7-5-8-13(4-2)16(12)20-15(21)11-24-17-14(18(22)23)9-6-10-19-17/h5-10H,3-4,11H2,1-2H3,(H,20,21)(H,22,23)/p-1