ethyl 4-[2-[2-[(4-methoxy-4-oxidanylidene-butanoyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: ethyl 4-[2-[2-[(4-methoxy-4-oxidanylidene-butanoyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-[(4-methoxy-4-oxo-butanoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[(4-methoxy-1,4-dioxobutyl)amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(4-methoxy-4-oxobutanoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-[N'-[(4-keto-4-methoxy-butanoyl)thiocarbamoyl]hydrazino]ethoxy]benzoic acid ethyl ester Formula: C17H21N3O7S MolecularWeight: 411.42954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7S/c1-3-26-16(24)11-4-6-12(7-5-11)27-10-14(22)19-20-17(28)18-13(21)8-9-15(23)25-2/h4-7H,3,8-10H2,1-2H3,(H,19,22)(H2,18,20,21,28)