methyl 3-oxidanylidene-3-[[2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]amino]propanoate

Systemtic Name: methyl 3-oxidanylidene-3-[[2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]amino]propanoate Openeye Name: methyl 3-oxo-3-[2-(5-thioxo-2H-tetrazol-1-yl)anilino]propanoate CAS Name: 3-oxo-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]propanoic acid methyl ester IUPAC Name: methyl 3-oxo-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]propanoate Traditional Name: 3-keto-3-[2-(5-thioxo-2H-tetrazol-1-yl)anilino]propionic acid methyl ester Formula: C11H11N5O3S MolecularWeight: 293.30174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)NC1=CC=CC=C1N2C(=S)N=NN2

Isomeric SMILES

COC(=O)CC(=O)NC1=CC=CC=C1N2C(=S)N=NN2

InChI

InChI=1S/C11H11N5O3S/c1-19-10(18)6-9(17)12-7-4-2-3-5-8(7)16-11(20)13-14-15-16/h2-5H,6H2,1H3,(H,12,17)(H,13,15,20)