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

Systemtic Name: ethyl 4-[2-[2-[(2-ethoxyphenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-[(2-ethoxybenzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(2-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(2-ethoxybenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-[(2-ethoxybenzoyl)thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H23N3O6S/c1-3-28-17-8-6-5-7-16(17)19(26)22-21(31)24-23-18(25)13-30-15-11-9-14(10-12-15)20(27)29-4-2/h5-12H,3-4,13H2,1-2H3,(H,23,25)(H2,22,24,26,31)