ethyl 3-[[2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[oxo-[2-(3-pyridinyl)-4-thiazolyl]methyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C18H21N5O3S2 MolecularWeight: 419.52104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C18H21N5O3S2/c1-2-26-15(24)6-8-20-18(27)23-10-4-9-22(23)17(25)14-12-28-16(21-14)13-5-3-7-19-11-13/h3,5,7,11-12H,2,4,6,8-10H2,1H3,(H,20,27)