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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C(N=CC=C1)SCC(=O)NCCCC

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C(N=CC=C1)SCC(=O)NCCCC

InChI

InChI=1S/C18H27N3O4S/c1-3-5-9-19-15(22)12-25-18(24)14-8-7-11-21-17(14)26-13-16(23)20-10-6-4-2/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,19,22)(H,20,23)