diethyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanedioate

Systemtic Name: diethyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-(1-methyltetrazol-5-yl)sulfanylpropanedioate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1-methyltetrazol-5-yl)sulfanylpropanedioate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]malonic acid diethyl ester Formula: C9H14N4O4S MolecularWeight: 274.29686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NN=NN1C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NN=NN1C

InChI

InChI=1S/C9H14N4O4S/c1-4-16-7(14)6(8(15)17-5-2)18-9-10-11-12-13(9)3/h6H,4-5H2,1-3H3