(4-nitrophenyl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid (4-nitrobenzyl) ester Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO5S/c1-25-11-15-14-4-2-3-5-16(14)24-17(15)18(20)23-10-12-6-8-13(9-7-12)19(21)22/h2-9H,10-11H2,1H3