ethyl 3-[[2-(6-acetamidohexanoyl)pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(6-acetamidohexanoyl)pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(6-acetamidohexanoyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-(6-acetamido-1-oxohexyl)-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(6-acetamidohexanoyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(6-acetamidohexanoyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C17H30N4O4S MolecularWeight: 386.5095

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)CCCCCNC(=O)C

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)CCCCCNC(=O)C

InChI

InChI=1S/C17H30N4O4S/c1-3-25-16(24)9-11-19-17(26)21-13-7-12-20(21)15(23)8-5-4-6-10-18-14(2)22/h3-13H2,1-2H3,(H,18,22)(H,19,26)