methyl 2-methyl-5-[2-(4-nitrophenyl)sulfanylethanoyloxymethyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[2-(4-nitrophenyl)sulfanylethanoyloxymethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[2-(4-nitrophenyl)sulfanylacetyl]oxymethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[2-[(4-nitrophenyl)thio]-1-oxoethoxy]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[2-(4-nitrophenyl)sulfanylacetyl]oxymethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[2-[(4-nitrophenyl)thio]acetyl]oxymethyl]furan-3-carboxylic acid methyl ester Formula: C16H15NO7S MolecularWeight: 365.3578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H15NO7S/c1-10-14(16(19)22-2)7-12(24-10)8-23-15(18)9-25-13-5-3-11(4-6-13)17(20)21/h3-7H,8-9H2,1-2H3