[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-butoxycarbonylanilino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-butoxycarbonylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(4-butoxycarbonylanilino)-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C20H22N2O5S/c1-3-4-12-26-19(24)14-7-9-15(10-8-14)22-17(23)13-27-20(25)16-6-5-11-21-18(16)28-2/h5-11H,3-4,12-13H2,1-2H3,(H,22,23)