[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-[2-(isobutylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(2-methylpropylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(isobutylamino)-2-keto-ethyl]thio]nicotinic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=C(N=CC=C1)SCC(=O)NCC(C)C

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=C(N=CC=C1)SCC(=O)NCC(C)C

InChI

InChI=1S/C18H27N3O4S/c1-12(2)8-20-15(22)10-25-18(24)14-6-5-7-19-17(14)26-11-16(23)21-9-13(3)4/h5-7,12-13H,8-11H2,1-4H3,(H,20,22)(H,21,23)