methyl 6-[2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[2-[1-oxo-2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]-1-pyrazolidinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-(2-keto-1,3-benzothiazol-3-yl)acetyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C20H18N4O5S/c1-29-19(27)13-7-8-14(21-11-13)18(26)24-10-4-9-23(24)17(25)12-22-15-5-2-3-6-16(15)30-20(22)28/h2-3,5-8,11H,4,9-10,12H2,1H3