methyl 5-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoyl]furan-2-carboxylate

Systemtic Name: methyl 5-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoyl]furan-2-carboxylate Openeye Name: methyl 5-[4-(1-methyltetrazol-5-yl)sulfanylbutanoyl]furan-2-carboxylate CAS Name: 5-[4-[(1-methyl-5-tetrazolyl)thio]-1-oxobutyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(1-methyltetrazol-5-yl)sulfanylbutanoyl]furan-2-carboxylate Traditional Name: 5-[4-[(1-methyltetrazol-5-yl)thio]butanoyl]furan-2-carboxylic acid methyl ester Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)C2=CC=C(O2)C(=O)OC

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)C2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C12H14N4O4S/c1-16-12(13-14-15-16)21-7-3-4-8(17)9-5-6-10(20-9)11(18)19-2/h5-6H,3-4,7H2,1-2H3