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

Systemtic Name: methyl 2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[(4-nitrophenyl)thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[(4-nitrophenyl)thio]methyl]furan-3-carboxylic acid methyl ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO5S/c1-9-13(14(16)19-2)7-11(20-9)8-21-12-5-3-10(4-6-12)15(17)18/h3-7H,8H2,1-2H3