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

Systemtic Name: methyl 4-oxidanylidene-4-[2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonyl]pyrazolidin-1-yl]butanoate Openeye Name: methyl 4-oxo-4-[2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidin-1-yl]butanoate CAS Name: 4-oxo-4-[2-[oxo-[2-(3-pyridinyl)-4-thiazolyl]methyl]-1-pyrazolidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]butanoate Traditional Name: 4-keto-4-[2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidin-1-yl]butyric acid methyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S/c1-25-15(23)6-5-14(22)20-8-3-9-21(20)17(24)13-11-26-16(19-13)12-4-2-7-18-10-12/h2,4,7,10-11H,3,5-6,8-9H2,1H3