tert-butyl 3-chloranyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-oxidanylidene-propanoate

Systemtic Name: tert-butyl 3-chloranyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-oxidanylidene-propanoate Openeye Name: tert-butyl 3-chloro-3-(1-methyltetrazol-5-yl)sulfanyl-2-oxo-propanoate CAS Name: 3-chloro-3-[(1-methyl-5-tetrazolyl)thio]-2-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-chloro-3-(1-methyltetrazol-5-yl)sulfanyl-2-oxopropanoate Traditional Name: 3-chloro-2-keto-3-[(1-methyltetrazol-5-yl)thio]propionic acid tert-butyl ester Formula: C9H13ClN4O3S MolecularWeight: 292.74252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)C(SC1=NN=NN1C)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)C(SC1=NN=NN1C)Cl

InChI

InChI=1S/C9H13ClN4O3S/c1-9(2,3)17-7(16)5(15)6(10)18-8-11-12-13-14(8)4/h6H,1-4H3