ethyl 2-[[1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-[[1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[(1,4-dioxo-2-naphthyl)sulfanylmethyl]-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-[[(1,4-dioxo-2-naphthalenyl)thio]methyl]-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1,4-dioxonaphthalen-2-yl)sulfanylmethyl]-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-[[(1,4-diketo-2-naphthyl)thio]methyl]-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C22H16O6S MolecularWeight: 408.42384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=CC(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=CC(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H16O6S/c1-2-27-22(26)20-15-9-12(23)7-8-17(15)28-18(20)11-29-19-10-16(24)13-5-3-4-6-14(13)21(19)25/h3-10,23H,2,11H2,1H3