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

Systemtic Name: methyl 2-[[2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonyl]pyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[oxo-[2-(3-pyridinyl)-4-thiazolyl]methyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidine-1-carbothioyl]amino]acetic acid methyl ester Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)N1CCCN1C(=O)C2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

COC(=O)CNC(=S)N1CCCN1C(=O)C2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C16H17N5O3S2/c1-24-13(22)9-18-16(25)21-7-3-6-20(21)15(23)12-10-26-14(19-12)11-4-2-5-17-8-11/h2,4-5,8,10H,3,6-7,9H2,1H3,(H,18,25)