ethyl 6-[[2-[(3-ethoxy-3-oxidanylidene-propyl)carbamothioyl]pyrazolidin-1-yl]carbonylamino]hexanoate

Systemtic Name: ethyl 6-[[2-[(3-ethoxy-3-oxidanylidene-propyl)carbamothioyl]pyrazolidin-1-yl]carbonylamino]hexanoate Openeye Name: ethyl 6-[[2-[(3-ethoxy-3-oxo-propyl)carbamothioyl]pyrazolidine-1-carbonyl]amino]hexanoate CAS Name: 6-[[[2-[[(3-ethoxy-3-oxopropyl)amino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[2-[(3-ethoxy-3-oxopropyl)carbamothioyl]pyrazolidine-1-carbonyl]amino]hexanoate Traditional Name: 6-[[2-[(3-ethoxy-3-keto-propyl)thiocarbamoyl]pyrazolidine-1-carbonyl]amino]hexanoic acid ethyl ester Formula: C18H32N4O5S MolecularWeight: 416.53548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)N1CCCN1C(=S)NCCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)N1CCCN1C(=S)NCCC(=O)OCC

InChI

InChI=1S/C18H32N4O5S/c1-3-26-15(23)9-6-5-7-11-19-17(25)21-13-8-14-22(21)18(28)20-12-10-16(24)27-4-2/h3-14H2,1-2H3,(H,19,25)(H,20,28)