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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-14(2)10-12-20-17(22)13-24-19(23)16-9-6-11-21-18(16)25-15-7-4-3-5-8-15/h3-9,11,14H,10,12-13H2,1-2H3,(H,20,22)