[2-(ethylamino)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(ethylamino)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(ethylamino)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(ethylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylamino)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(ethylamino)-2-keto-ethyl] ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCNC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O3S/c1-2-17-14(19)11-21-16(20)13-9-6-10-18-15(13)22-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,17,19)