methyl 5-[[2-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoylamino]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[2-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoylamino]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[[2-[2-(2-naphthylamino)-2-oxo-ethyl]sulfanylacetyl]amino]methyl]furan-2-carboxylate CAS Name: 5-[[[2-[[2-(2-naphthalenylamino)-2-oxoethyl]thio]-1-oxoethyl]amino]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[[2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetyl]amino]methyl]furan-2-carboxylate Traditional Name: 5-[[[2-[[2-keto-2-(2-naphthylamino)ethyl]thio]acetyl]amino]methyl]furan-2-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CNC(=O)CSCC(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=C(O1)CNC(=O)CSCC(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O5S/c1-27-21(26)18-9-8-17(28-18)11-22-19(24)12-29-13-20(25)23-16-7-6-14-4-2-3-5-15(14)10-16/h2-10H,11-13H2,1H3,(H,22,24)(H,23,25)