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

Systemtic Name: ethyl 4-[2-[2-(2-methylpropanoylcarbamothioyl)hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-(2-methylpropanoylcarbamothioyl)hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(2-methylpropanoylcarbamothioyl)hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-(isobutyrylthiocarbamoyl)hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-4-23-15(22)11-5-7-12(8-6-11)24-9-13(20)18-19-16(25)17-14(21)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,18,20)(H2,17,19,21,25)