ethyl 2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-[1-(4-chlorophenyl)ethylamino]-2-keto-ethyl]thio]nicotinic acid ethyl ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SCC(=O)NC(C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SCC(=O)NC(C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O3S/c1-3-24-18(23)15-5-4-10-20-17(15)25-11-16(22)21-12(2)13-6-8-14(19)9-7-13/h4-10,12H,3,11H2,1-2H3,(H,21,22)