ethyl 5-acetyloxy-2-[(4-nitrophenyl)sulfanylmethyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-2-[(4-nitrophenyl)sulfanylmethyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-[(4-nitrophenyl)sulfanylmethyl]benzofuran-3-carboxylate CAS Name: 5-acetyloxy-2-[[(4-nitrophenyl)thio]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-[(4-nitrophenyl)sulfanylmethyl]-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-2-[[(4-nitrophenyl)thio]methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C20H17NO7S MolecularWeight: 415.41648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17NO7S/c1-3-26-20(23)19-16-10-14(27-12(2)22)6-9-17(16)28-18(19)11-29-15-7-4-13(5-8-15)21(24)25/h4-10H,3,11H2,1-2H3