ethyl 3-[[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=NC3=CC=CC=C3C(=C2)OC

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=NC3=CC=CC=C3C(=C2)OC

InChI

InChI=1S/C20H24N4O4S/c1-3-28-18(25)9-10-21-20(29)24-12-6-11-23(24)19(26)16-13-17(27-2)14-7-4-5-8-15(14)22-16/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,21,29)