methyl 2-methyl-5-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]furan-3-carboxylic acid methyl ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H13N3O6S/c1-9-13(15(20)23-2)7-12(24-9)8-26-16-18-17-14(25-16)10-4-3-5-11(6-10)19(21)22/h3-7H,8H2,1-2H3