[5-[butyl-(6-chloranylpyridin-2-yl)amino]-2-ethoxycarbothioylsulfanyl-5-oxidanylidene-pentyl] ethanoate

Systemtic Name: [5-[butyl-(6-chloranylpyridin-2-yl)amino]-2-ethoxycarbothioylsulfanyl-5-oxidanylidene-pentyl] ethanoate Openeye Name: [5-[butyl-(6-chloro-2-pyridyl)amino]-2-ethoxycarbothioylsulfanyl-5-oxo-pentyl] acetate CAS Name: acetic acid [5-[butyl-(6-chloro-2-pyridinyl)amino]-2-[[ethoxy(sulfanylidene)methyl]thio]-5-oxopentyl] ester IUPAC Name: [5-[butyl-(6-chloropyridin-2-yl)amino]-2-ethoxycarbothioylsulfanyl-5-oxopentyl] acetate Traditional Name: acetic acid [5-[butyl-(6-chloro-2-pyridyl)amino]-2-(ethoxycarbothioylthio)-5-keto-pentyl] ester Formula: C19H27ClN2O4S2 MolecularWeight: 447.01168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NC(=CC=C1)Cl)C(=O)CCC(COC(=O)C)SC(=S)OCC

Isomeric SMILES

CCCCN(C1=NC(=CC=C1)Cl)C(=O)CCC(COC(=O)C)SC(=S)OCC

InChI

InChI=1S/C19H27ClN2O4S2/c1-4-6-12-22(17-9-7-8-16(20)21-17)18(24)11-10-15(13-26-14(3)23)28-19(27)25-5-2/h7-9,15H,4-6,10-13H2,1-3H3