ethyl 4-[2-[2-(3-methylbutanoylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: ethyl 4-[2-[2-(3-methylbutanoylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-(3-methylbutanoylcarbamothioyl)hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(3-methylbutanoylcarbamothioyl)hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-(isovalerylthiocarbamoyl)hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C17H23N3O5S/c1-4-24-16(23)12-5-7-13(8-6-12)25-10-15(22)19-20-17(26)18-14(21)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,19,22)(H2,18,20,21,26)